1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide

C245H314N24O28 — CID 159598393

About 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide

1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide (PubChem CID 159598393) has the molecular formula C245H314N24O28 and a molecular weight of 4043.35 g/mol. Its IUPAC name is 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide.

Molecular Properties

• Compound Name: 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide
• PubChem CID: 159598393
• Molecular Formula: C245H314N24O28
• Molecular Weight: 4043.35 g/mol
• Exact Mass: 4040.39
• IUPAC Name: 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide
• SMILES: CCCCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CCN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1C)C1CCOCC1.CN1CCC(c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)C1.Cc1c(NC2CCOCC2)cccc1C(=O)CCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C2CCCN2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C2CCNC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOC2)c1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1
• InChI: InChI=1S/C27H37N3O3.C26H34N2O3.2C25H32N2O3.C24H29N3O4.C24H31N3O2.C24H30N2O3.C24H31NO3.2C23H29N3O2/c1-3-30(23-12-15-33-16-13-23)26-10-6-9-25(20(26)2)27(32)28-17-24(31)19-29-14-11-21-7-4-5-8-22(21)18-29;1-19-24(7-4-8-25(19)27-22-12-15-31-16-13-22)26(30)10-9-23(29)18-28-14-11-20-5-2-3-6-21(20)17-28;2*28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-22(17-26-9-8-18-4-1-2-5-21(18)16-26)15-25-23(29)19-6-3-7-20(14-19)24(30)27-10-12-31-13-11-27;1-26-11-9-22(15-26)19-7-4-8-20(13-19)24(29)25-14-23(28)17-27-12-10-18-5-2-3-6-21(18)16-27;27-23(16-26-10-8-20-5-1-2-6-22(20)15-26)14-25-24(28)21-7-3-4-18(13-21)12-19-9-11-29-17-19;1-2-3-15-28-23-10-6-9-20(16-23)24(27)12-11-22(26)18-25-14-13-19-7-4-5-8-21(19)17-25;27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-23(28)19-8-3-7-18(13-19)22-9-4-11-24-22;27-22(16-26-11-9-17-4-1-2-5-21(17)15-26)14-25-23(28)19-7-3-6-18(12-19)20-8-10-24-13-20/h4-10,23-24,31H,3,11-19H2,1-2H3,(H,28,32);2-8,22-23,27,29H,9-18H2,1H3;2*1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-7,14,22,28H,8-13,15-17H2,(H,25,29);2-8,13,22-23,28H,9-12,14-17H2,1H3,(H,25,29);1-7,13,19,23,27H,8-12,14-17H2,(H,25,28);4-10,16,22,26H,2-3,11-15,17-18H2,1H3;1-3,5-8,13,21-22,24,27H,4,9-12,14-16H2,(H,25,28);1-7,12,20,22,24,27H,8-11,13-16H2,(H,25,28)/t;;2*24-;;;;;;/m..10....../s1
• InChIKey: MLDLJDDMHHRCRI-BRYAALRRSA-N
• XLogP: 27.12
• TPSA: 629.13 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 43
• Rotatable Bonds: 71
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4043.35
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide?

The IUPAC name of 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide (CID 159598393) is 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide.

What is the SMILES notation for 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide?

The canonical SMILES for 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide is CCCCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CCN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1C)C1CCOCC1.CN1CCC(c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)C1.Cc1c(NC2CCOCC2)cccc1C(=O)CCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C2CCCN2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C2CCNC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOC2)c1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.

What is the InChIKey of 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide?

The InChIKey is MLDLJDDMHHRCRI-BRYAALRRSA-N. The full InChI is InChI=1S/C27H37N3O3.C26H34N2O3.2C25H32N2O3.C24H29N3O4.C24H31N3O2.C24H30N2O3.C24H31NO3.2C23H29N3O2/c1-3-30(23-12-15-33-16-13-23)26-10-6-9-25(20(26)2)27(32)28-17-24(31)19-29-14-11-21-7-4-5-8-22(21)18-29;1-19-24(7-4-8-25(19)27-22-12-15-31-16-13-22)26(30)10-9-23(29)18-28-14-11-20-5-2-3-6-21(20)17-28;2*28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-22(17-26-9-8-18-4-1-2-5-21(18)16-26)15-25-23(29)19-6-3-7-20(14-19)24(30)27-10-12-31-13-11-27;1-26-11-9-22(15-26)19-7-4-8-20(13-19)24(29)25-14-23(28)17-27-12-10-18-5-2-3-6-21(18)16-27;27-23(16-26-10-8-20-5-1-2-6-22(20)15-26)14-25-24(28)21-7-3-4-18(13-21)12-19-9-11-29-17-19;1-2-3-15-28-23-10-6-9-20(16-23)24(27)12-11-22(26)18-25-14-13-19-7-4-5-8-21(19)17-25;27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-23(28)19-8-3-7-18(13-19)22-9-4-11-24-22;27-22(16-26-11-9-17-4-1-2-5-21(17)15-26)14-25-23(28)19-7-3-6-18(12-19)20-8-10-24-13-20/h4-10,23-24,31H,3,11-19H2,1-2H3,(H,28,32);2-8,22-23,27,29H,9-18H2,1H3;2*1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-7,14,22,28H,8-13,15-17H2,(H,25,29);2-8,13,22-23,28H,9-12,14-17H2,1H3,(H,25,29);1-7,13,19,23,27H,8-12,14-17H2,(H,25,28);4-10,16,22,26H,2-3,11-15,17-18H2,1H3;1-3,5-8,13,21-22,24,27H,4,9-12,14-16H2,(H,25,28);1-7,12,20,22,24,27H,8-11,13-16H2,(H,25,28)/t;;2*24-;;;;;;/m..10....../s1.

What are the key properties of 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide?

1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide has a molecular weight of 4043.35 g/mol, XLogP of 27.12, 71 rotatable bonds, 21 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 159598393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).