N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide

C195H248N20O26 — CID 159811631

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide
SMILESCCN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.CN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2COC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(OC2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1
InChIInChI=1S/C26H35N3O3.C25H33N3O3.C25H32N2O3.C24H29N3O4.C24H31N3O3.C24H30N2O4.C24H30N2O3.C23H28N2O3/c1-2-29(23-11-14-32-15-12-23)24-9-5-8-21(16-24)26(31)27-17-25(30)19-28-13-10-20-6-3-4-7-22(20)18-28;1-27(22-10-13-31-14-11-22)23-8-4-7-20(15-23)25(30)26-16-24(29)18-28-12-9-19-5-2-3-6-21(19)17-28;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;28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26;27-21(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-24(28)19-6-3-7-23(14-19)30-22-9-12-29-13-10-22;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;26-22(14-25-9-8-19-5-1-2-6-21(19)13-25)12-24-23(27)20-7-3-4-17(11-20)10-18-15-28-16-18/h3-9,16,23,25,30H,2,10-15,17-19H2,1H3,(H,27,31);2-8,15,22,24,29H,9-14,16-18H2,1H3,(H,26,30);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);1-7,14,23,28H,8-13,15-18H2,(H,25,29);1-7,14,21-22,27H,8-13,15-17H2,(H,25,28);1-7,13,19,23,27H,8-12,14-17H2,(H,25,28);1-7,11,18,22,26H,8-10,12-16H2,(H,24,27)/t;;24-;;;;;/m..0...../s1
InChIKeyNLCFXHRGZBCLIT-FQDJYZLDSA-N
MW3288.24 g/mol
LogP17.90
Rot. Bonds56

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-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-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide (PubChem CID 159811631) has the molecular formula C195H248N20O26 and a molecular weight of 3288.24 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide
PubChem CID159811631
Molecular FormulaC195H248N20O26
Molecular Weight3288.24 g/mol
Exact Mass3285.87
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide
SMILESCCN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.CN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2COC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(OC2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1
InChIInChI=1S/C26H35N3O3.C25H33N3O3.C25H32N2O3.C24H29N3O4.C24H31N3O3.C24H30N2O4.C24H30N2O3.C23H28N2O3/c1-2-29(23-11-14-32-15-12-23)24-9-5-8-21(16-24)26(31)27-17-25(30)19-28-13-10-20-6-3-4-7-22(20)18-28;1-27(22-10-13-31-14-11-22)23-8-4-7-20(15-23)25(30)26-16-24(29)18-28-12-9-19-5-2-3-6-21(19)17-28;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;28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26;27-21(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-24(28)19-6-3-7-23(14-19)30-22-9-12-29-13-10-22;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;26-22(14-25-9-8-19-5-1-2-6-21(19)13-25)12-24-23(27)20-7-3-4-17(11-20)10-18-15-28-16-18/h3-9,16,23,25,30H,2,10-15,17-19H2,1H3,(H,27,31);2-8,15,22,24,29H,9-14,16-18H2,1H3,(H,26,30);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);1-7,14,23,28H,8-13,15-18H2,(H,25,29);1-7,14,21-22,27H,8-13,15-17H2,(H,25,28);1-7,13,19,23,27H,8-12,14-17H2,(H,25,28);1-7,11,18,22,26H,8-10,12-16H2,(H,24,27)/t;;24-;;;;;/m..0...../s1
InChIKeyNLCFXHRGZBCLIT-FQDJYZLDSA-N
XLogP17.90
TPSA533.66 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds56
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.24
LogP ≤ 517.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide 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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide (CID 159811631) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide is CCN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.CN(c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1)C1CCOCC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2COC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(OC2CCOCC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide?
The InChIKey is NLCFXHRGZBCLIT-FQDJYZLDSA-N. The full InChI is InChI=1S/C26H35N3O3.C25H33N3O3.C25H32N2O3.C24H29N3O4.C24H31N3O3.C24H30N2O4.C24H30N2O3.C23H28N2O3/c1-2-29(23-11-14-32-15-12-23)24-9-5-8-21(16-24)26(31)27-17-25(30)19-28-13-10-20-6-3-4-7-22(20)18-28;1-27(22-10-13-31-14-11-22)23-8-4-7-20(15-23)25(30)26-16-24(29)18-28-12-9-19-5-2-3-6-21(19)17-28;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;28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26;27-21(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-24(28)19-6-3-7-23(14-19)30-22-9-12-29-13-10-22;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;26-22(14-25-9-8-19-5-1-2-6-21(19)13-25)12-24-23(27)20-7-3-4-17(11-20)10-18-15-28-16-18/h3-9,16,23,25,30H,2,10-15,17-19H2,1H3,(H,27,31);2-8,15,22,24,29H,9-14,16-18H2,1H3,(H,26,30);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);1-7,14,23,28H,8-13,15-18H2,(H,25,29);1-7,14,21-22,27H,8-13,15-17H2,(H,25,28);1-7,13,19,23,27H,8-12,14-17H2,(H,25,28);1-7,11,18,22,26H,8-10,12-16H2,(H,24,27)/t;;24-;;;;;/m..0...../s1.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-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-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide has a molecular weight of 3288.24 g/mol, XLogP of 17.90, 56 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-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-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 159811631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).