2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

C328H409N37O56S3 — CID 158610596

IUPAC2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESCC(=O)Nc1cccc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CC(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc21.NC(=O)c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.O=C(COC1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3.C24H27N3O3.C23H28N2O4.C22H26N4O3.C22H27N3O4.2C22H29N3O3.C22H28N2O5S.2C22H26N2O4.C21H27N3O5S.C21H26N2O5S.2C20H24N2O3.C19H28N2O4/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27;1-17(26)24-20-7-4-8-23(13-20)29-16-22(28)10-9-21(27)15-25-12-11-18-5-2-3-6-19(18)14-25;1-25-15-24-20-7-6-19(10-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-16(26)24-20-8-4-5-9-21(20)29-15-22(28)23-12-19(27)14-25-11-10-17-6-2-3-7-18(17)13-25;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-24(2)19-7-9-21(10-8-19)28-16-22(27)23-13-20(26)15-25-12-11-17-5-3-4-6-18(17)14-25;1-30(27,28)16-17-5-4-8-21(11-17)29-15-22(26)23-12-20(25)14-24-10-9-18-6-2-3-7-19(18)13-24;1-16(25)18-7-4-8-21(11-18)28-15-22(27)23-12-20(26)14-24-10-9-17-5-2-3-6-19(17)13-24;23-22(27)20-7-3-4-8-21(20)28-15-19(26)10-9-18(25)14-24-12-11-16-5-1-2-6-17(16)13-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;2*23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22;22-17(11-20-19(23)14-25-18-6-9-24-10-7-18)13-21-8-5-15-3-1-2-4-16(15)12-21/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29);2-8,13,21,27H,9-12,14-16H2,1H3,(H,24,26);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,27H,10-15H2,1H3,(H,23,28)(H,24,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);3-10,20,26H,11-16H2,1-2H3,(H,23,27);2-8,11,20,25H,9-10,12-16H2,1H3,(H,23,26);2-8,11,20,26H,9-10,12-15H2,1H3,(H,23,27);1-8,18,25H,9-15H2,(H2,23,27);2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2*1-9,18,23H,10-15H2,(H,21,24);1-4,17-18,22H,5-14H2,(H,20,23)/t;;;;;;;;;;;;2*18-;/m............10./s1
InChIKeyHWUDTQBBHCPASU-CFXKJLGFSA-N
MW5862.28 g/mol
LogP26.14
Rot. Bonds119

About 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (PubChem CID 158610596) has the molecular formula C328H409N37O56S3 and a molecular weight of 5862.28 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
PubChem CID158610596
Molecular FormulaC328H409N37O56S3
Molecular Weight5862.28 g/mol
Exact Mass5857.95
IUPAC Name2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESCC(=O)Nc1cccc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CC(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc21.NC(=O)c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.O=C(COC1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3.C24H27N3O3.C23H28N2O4.C22H26N4O3.C22H27N3O4.2C22H29N3O3.C22H28N2O5S.2C22H26N2O4.C21H27N3O5S.C21H26N2O5S.2C20H24N2O3.C19H28N2O4/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27;1-17(26)24-20-7-4-8-23(13-20)29-16-22(28)10-9-21(27)15-25-12-11-18-5-2-3-6-19(18)14-25;1-25-15-24-20-7-6-19(10-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-16(26)24-20-8-4-5-9-21(20)29-15-22(28)23-12-19(27)14-25-11-10-17-6-2-3-7-18(17)13-25;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-24(2)19-7-9-21(10-8-19)28-16-22(27)23-13-20(26)15-25-12-11-17-5-3-4-6-18(17)14-25;1-30(27,28)16-17-5-4-8-21(11-17)29-15-22(26)23-12-20(25)14-24-10-9-18-6-2-3-7-19(18)13-24;1-16(25)18-7-4-8-21(11-18)28-15-22(27)23-12-20(26)14-24-10-9-17-5-2-3-6-19(17)13-24;23-22(27)20-7-3-4-8-21(20)28-15-19(26)10-9-18(25)14-24-12-11-16-5-1-2-6-17(16)13-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;2*23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22;22-17(11-20-19(23)14-25-18-6-9-24-10-7-18)13-21-8-5-15-3-1-2-4-16(15)12-21/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29);2-8,13,21,27H,9-12,14-16H2,1H3,(H,24,26);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,27H,10-15H2,1H3,(H,23,28)(H,24,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);3-10,20,26H,11-16H2,1-2H3,(H,23,27);2-8,11,20,25H,9-10,12-16H2,1H3,(H,23,26);2-8,11,20,26H,9-10,12-15H2,1H3,(H,23,27);1-8,18,25H,9-15H2,(H2,23,27);2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2*1-9,18,23H,10-15H2,(H,21,24);1-4,17-18,22H,5-14H2,(H,20,23)/t;;;;;;;;;;;;2*18-;/m............10./s1
InChIKeyHWUDTQBBHCPASU-CFXKJLGFSA-N
XLogP26.14
TPSA1182.17 Ų
H-Bond Donors32
H-Bond Acceptors76
Rotatable Bonds119
Heavy Atoms424
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005862.28
LogP ≤ 526.14
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1076

Analyze 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158291810
CID 158291810
2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 159525440
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutan-2-yl]-2-(2-sulfamoylphenoxy)acetamide;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(dimethylamino)-2-sulfamoylphenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylpropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide
CID 157195096
3-(benzimidazol-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-ethyl-4-hydroxypyrrolidin-1-yl)sulfonylphenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(6-methoxy-1H-benzimidazol-2-yl)propanamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)-3-(methylsulfonylmethyl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(5-phenyl-1H-imidazol-2-yl)propanamide;bis(N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide);3-methoxy-N-(5-methoxypentyl)benzamide;3-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 158927976
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-N-methylbenzamide;2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-2-oxoethoxy]-N,N-dimethylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-hydroxypyrrolidin-1-yl)sulfonylphenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)propanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-3-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-pyrrolidin-3-ylphenoxy)acetamide
CID 160437114
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide
CID 160491956
CID 160528204
CID 160528204
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-N-methylbenzamide;2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-2-oxoethoxy]-N,N-dimethylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)propanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-3-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-pyrrolidin-3-ylphenoxy)acetamide
CID 160825712
CID 161297074
CID 161297074
CID 161308808
CID 161308808
1-[2-(4-acetylpiperazin-1-yl)sulfonylphenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-N-methylbenzamide;2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-2-oxoethoxy]-N,N-dimethylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(methylsulfamoyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)propanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-piperidin-3-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-pyrrolidin-3-ylphenoxy)acetamide
CID 161375885
2-(3-acetamido-2-piperidin-3-ylphenoxy)-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[2-[2-aminoethyl(methyl)sulfamoyl]phenoxy]-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(1,3-benzoxazol-2-yloxy)-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-imidazol-1-ylphenoxy)acetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(1H-imidazol-5-yl)phenoxy]acetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-piperazin-1-ylphenoxy)acetamide;3-ethoxy-N-(5-hydroxypentyl)benzamide
CID 161426551

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (CID 158610596) is 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is CC(=O)Nc1cccc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CC(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc21.NC(=O)c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.O=C(COC1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The InChIKey is HWUDTQBBHCPASU-CFXKJLGFSA-N. The full InChI is InChI=1S/C26H34N2O3.C24H27N3O3.C23H28N2O4.C22H26N4O3.C22H27N3O4.2C22H29N3O3.C22H28N2O5S.2C22H26N2O4.C21H27N3O5S.C21H26N2O5S.2C20H24N2O3.C19H28N2O4/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27;1-17(26)24-20-7-4-8-23(13-20)29-16-22(28)10-9-21(27)15-25-12-11-18-5-2-3-6-19(18)14-25;1-25-15-24-20-7-6-19(10-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-16(26)24-20-8-4-5-9-21(20)29-15-22(28)23-12-19(27)14-25-11-10-17-6-2-3-7-18(17)13-25;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-24(2)19-7-9-21(10-8-19)28-16-22(27)23-13-20(26)15-25-12-11-17-5-3-4-6-18(17)14-25;1-30(27,28)16-17-5-4-8-21(11-17)29-15-22(26)23-12-20(25)14-24-10-9-18-6-2-3-7-19(18)13-24;1-16(25)18-7-4-8-21(11-18)28-15-22(27)23-12-20(26)14-24-10-9-17-5-2-3-6-19(17)13-24;23-22(27)20-7-3-4-8-21(20)28-15-19(26)10-9-18(25)14-24-12-11-16-5-1-2-6-17(16)13-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;2*23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22;22-17(11-20-19(23)14-25-18-6-9-24-10-7-18)13-21-8-5-15-3-1-2-4-16(15)12-21/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29);2-8,13,21,27H,9-12,14-16H2,1H3,(H,24,26);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,27H,10-15H2,1H3,(H,23,28)(H,24,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);3-10,20,26H,11-16H2,1-2H3,(H,23,27);2-8,11,20,25H,9-10,12-16H2,1H3,(H,23,26);2-8,11,20,26H,9-10,12-15H2,1H3,(H,23,27);1-8,18,25H,9-15H2,(H2,23,27);2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2*1-9,18,23H,10-15H2,(H,21,24);1-4,17-18,22H,5-14H2,(H,20,23)/t;;;;;;;;;;;;2*18-;/m............10./s1.
What are the key properties of 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide has a molecular weight of 5862.28 g/mol, XLogP of 26.14, 119 rotatable bonds, 32 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(3-acetylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]benzamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methylsulfonylmethyl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yloxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 158610596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).