tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

C161H183N19O23S — CID 161139973

IUPACtert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1Cc2ccccc2C1.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(CC2CCOCC2)c1
InChIInChI=1S/C25H25N3O2.C24H30N2O4.C24H30N2O3.2C23H25N3O3.C22H24N4O3.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;27-23(17-26-15-21-5-1-2-6-22(21)16-26)14-25-24(28)20-7-3-4-19(13-20)12-18-8-10-29-11-9-18;2*1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-18(14-26-12-16-5-1-2-6-17(16)13-26)11-23-22(28)15-29-21-8-4-3-7-19(21)20-9-10-24-25-20;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);1-7,13,18,23,27H,8-12,14-17H2,(H,25,28);2*2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-10,18,27H,11-15H2,(H,23,28)(H,24,25);2-9,17,23H,10-14H2,1H3,(H,21,24)/t;;;2*16-,20+;;/m...00../s1
InChIKeyUNHQUPXHQYFXRJ-WVIYBLGMSA-N
MW2784.41 g/mol
LogP17.34
Rot. Bonds50

About tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol

tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (PubChem CID 161139973) has the molecular formula C161H183N19O23S and a molecular weight of 2784.41 g/mol. Its IUPAC name is tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Nametert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
PubChem CID161139973
Molecular FormulaC161H183N19O23S
Molecular Weight2784.41 g/mol
Exact Mass2782.35
IUPAC Nametert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1Cc2ccccc2C1.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(CC2CCOCC2)c1
InChIInChI=1S/C25H25N3O2.C24H30N2O4.C24H30N2O3.2C23H25N3O3.C22H24N4O3.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;27-23(17-26-15-21-5-1-2-6-22(21)16-26)14-25-24(28)20-7-3-4-19(13-20)12-18-8-10-29-11-9-18;2*1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-18(14-26-12-16-5-1-2-6-17(16)13-26)11-23-22(28)15-29-21-8-4-3-7-19(21)20-9-10-24-25-20;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);1-7,13,18,23,27H,8-12,14-17H2,(H,25,28);2*2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-10,18,27H,11-15H2,(H,23,28)(H,24,25);2-9,17,23H,10-14H2,1H3,(H,21,24)/t;;;2*16-,20+;;/m...00../s1
InChIKeyUNHQUPXHQYFXRJ-WVIYBLGMSA-N
XLogP17.34
TPSA526.99 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds50
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.41
LogP ≤ 517.34
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol 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

(1-Ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
CID 157477070
(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-(1-cyclohexylindazol-6-yl)oxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-methylbenzimidazol-5-yl)propanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(1-methylpiperidin-4-yl)indazol-6-yl]oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[(2R)-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-(2-sulfamoylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 157766824
CID 157883613
CID 157883613
CID 158530452
CID 158530452
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 158776315
tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159479862
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(3-pyridin-2-ylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159534710
CID 161438880
CID 161438880
1-[3-(2-cyclopentylethyl)phenoxy]-3-(1,3-dihydroisoindol-2-yl)propan-2-ol;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161796985
tert-butyl N-[3-[5-(1,3-dihydroisoindol-2-yl)-4-hydroxypentanoyl]phenyl]carbamate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;5-(1,3-dihydroisoindol-2-yl)-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-1-one;1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 161839549

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The IUPAC name of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol (CID 161139973) is tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol.
What is the SMILES notation for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The canonical SMILES for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is CC(C)(C)OC(=O)Cc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C4)c3)cc21.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1Cc2ccccc2C1.O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(CC2CCOCC2)c1.
What is the InChIKey of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
The InChIKey is UNHQUPXHQYFXRJ-WVIYBLGMSA-N. The full InChI is InChI=1S/C25H25N3O2.C24H30N2O4.C24H30N2O3.2C23H25N3O3.C22H24N4O3.C20H24N2O5S/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28;1-24(2,3)30-22(28)12-17-7-6-10-18(11-17)23(29)25-13-21(27)16-26-14-19-8-4-5-9-20(19)15-26;27-23(17-26-15-21-5-1-2-6-22(21)16-26)14-25-24(28)20-7-3-4-19(13-20)12-18-8-10-29-11-9-18;2*1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;27-18(14-26-12-16-5-1-2-6-17(16)13-26)11-23-22(28)15-29-21-8-4-3-7-19(21)20-9-10-24-25-20;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-12,17,22,29H,13-16H2,1H3;4-11,21,27H,12-16H2,1-3H3,(H,25,29);1-7,13,18,23,27H,8-12,14-17H2,(H,25,28);2*2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-10,18,27H,11-15H2,(H,23,28)(H,24,25);2-9,17,23H,10-14H2,1H3,(H,21,24)/t;;;2*16-,20+;;/m...00../s1.
What are the key properties of tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol?
tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol has a molecular weight of 2784.41 g/mol, XLogP of 17.34, 50 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]acetate;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;bis((2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide);1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 161139973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).