N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide

C215H223N27O24 — CID 158820605

IUPACN-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide
SMILESCCN(CC)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN(C)c1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN1CCOc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.COCCOc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C31H30N4O4.2C31H32N4O3.C31H38N4O3.C31H31N3O5.2C30H30N4O3/c1-35-15-16-39-29-10-9-27(18-26(29)19-35)33-31(38)25-4-2-3-24(17-25)28(20-36)34-30(37)23-7-5-21(6-8-23)22-11-13-32-14-12-22;1-35(2)20-23-6-3-5-22(17-23)19-33-30(37)28-8-4-7-27(18-28)29(21-36)34-31(38)26-11-9-24(10-12-26)25-13-15-32-16-14-25;1-35(2)20-23-8-6-22(7-9-23)19-33-30(37)28-5-3-4-27(18-28)29(21-36)34-31(38)26-12-10-24(11-13-26)25-14-16-32-17-15-25;1-3-35(4-2)28-14-12-27(13-15-28)33-31(38)26-7-5-6-25(20-26)29(21-36)34-30(37)24-10-8-22(9-11-24)23-16-18-32-19-17-23;1-38-16-17-39-28-7-2-4-22(18-28)20-33-30(36)27-6-3-5-26(19-27)29(21-35)34-31(37)25-10-8-23(9-11-25)24-12-14-32-15-13-24;1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23;1-34(2)27-12-6-21(7-13-27)19-32-29(36)26-5-3-4-25(18-26)28(20-35)33-30(37)24-10-8-22(9-11-24)23-14-16-31-17-15-23/h2-14,17-18,28,36H,15-16,19-20H2,1H3,(H,33,38)(H,34,37);2*3-18,29,36H,19-21H2,1-2H3,(H,33,37)(H,34,38);5-11,16-20,27-29,36H,3-4,12-15,21H2,1-2H3,(H,33,38)(H,34,37);2-15,18-19,29,35H,16-17,20-21H2,1H3,(H,33,36)(H,34,37);2*3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-;2*29-;27?,28?,29-;29-;2*28-/m1111111/s1
InChIKeyIVUXPWITUPFUAU-GGHBYIFUSA-N
MW3569.31 g/mol
LogP29.87
Rot. Bonds67

About N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide

N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide (PubChem CID 158820605) has the molecular formula C215H223N27O24 and a molecular weight of 3569.31 g/mol. Its IUPAC name is N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide
PubChem CID158820605
Molecular FormulaC215H223N27O24
Molecular Weight3569.31 g/mol
Exact Mass3566.71
IUPAC NameN-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide
SMILESCCN(CC)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN(C)c1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN1CCOc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.COCCOc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C31H30N4O4.2C31H32N4O3.C31H38N4O3.C31H31N3O5.2C30H30N4O3/c1-35-15-16-39-29-10-9-27(18-26(29)19-35)33-31(38)25-4-2-3-24(17-25)28(20-36)34-30(37)23-7-5-21(6-8-23)22-11-13-32-14-12-22;1-35(2)20-23-6-3-5-22(17-23)19-33-30(37)28-8-4-7-27(18-28)29(21-36)34-31(38)26-11-9-24(10-12-26)25-13-15-32-16-14-25;1-35(2)20-23-8-6-22(7-9-23)19-33-30(37)28-5-3-4-27(18-28)29(21-36)34-31(38)26-12-10-24(11-13-26)25-14-16-32-17-15-25;1-3-35(4-2)28-14-12-27(13-15-28)33-31(38)26-7-5-6-25(20-26)29(21-36)34-30(37)24-10-8-22(9-11-24)23-16-18-32-19-17-23;1-38-16-17-39-28-7-2-4-22(18-28)20-33-30(36)27-6-3-5-26(19-27)29(21-35)34-31(37)25-10-8-23(9-11-25)24-12-14-32-15-13-24;1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23;1-34(2)27-12-6-21(7-13-27)19-32-29(36)26-5-3-4-25(18-26)28(20-35)33-30(37)24-10-8-22(9-11-24)23-14-16-31-17-15-23/h2-14,17-18,28,36H,15-16,19-20H2,1H3,(H,33,38)(H,34,37);2*3-18,29,36H,19-21H2,1-2H3,(H,33,37)(H,34,38);5-11,16-20,27-29,36H,3-4,12-15,21H2,1-2H3,(H,33,38)(H,34,37);2-15,18-19,29,35H,16-17,20-21H2,1H3,(H,33,36)(H,34,37);2*3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-;2*29-;27?,28?,29-;29-;2*28-/m1111111/s1
InChIKeyIVUXPWITUPFUAU-GGHBYIFUSA-N
XLogP29.87
TPSA686.37 Ų
H-Bond Donors21
H-Bond Acceptors37
Rotatable Bonds67
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003569.31
LogP ≤ 529.87
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 170951287
methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 139400406
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474999
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 91394925
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047812
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-benzylbenzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[[3-(dimethylamino)phenyl]methyl]benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-(pyrazin-2-ylmethyl)benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 159765726
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 25054825

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide?
The IUPAC name of N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide (CID 158820605) is N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide?
The canonical SMILES for N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide is CCN(CC)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN(C)c1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CN1CCOc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.COCCOc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.
What is the InChIKey of N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide?
The InChIKey is IVUXPWITUPFUAU-GGHBYIFUSA-N. The full InChI is InChI=1S/C31H30N4O4.2C31H32N4O3.C31H38N4O3.C31H31N3O5.2C30H30N4O3/c1-35-15-16-39-29-10-9-27(18-26(29)19-35)33-31(38)25-4-2-3-24(17-25)28(20-36)34-30(37)23-7-5-21(6-8-23)22-11-13-32-14-12-22;1-35(2)20-23-6-3-5-22(17-23)19-33-30(37)28-8-4-7-27(18-28)29(21-36)34-31(38)26-11-9-24(10-12-26)25-13-15-32-16-14-25;1-35(2)20-23-8-6-22(7-9-23)19-33-30(37)28-5-3-4-27(18-28)29(21-36)34-31(38)26-12-10-24(11-13-26)25-14-16-32-17-15-25;1-3-35(4-2)28-14-12-27(13-15-28)33-31(38)26-7-5-6-25(20-26)29(21-36)34-30(37)24-10-8-22(9-11-24)23-16-18-32-19-17-23;1-38-16-17-39-28-7-2-4-22(18-28)20-33-30(36)27-6-3-5-26(19-27)29(21-35)34-31(37)25-10-8-23(9-11-25)24-12-14-32-15-13-24;1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23;1-34(2)27-12-6-21(7-13-27)19-32-29(36)26-5-3-4-25(18-26)28(20-35)33-30(37)24-10-8-22(9-11-24)23-14-16-31-17-15-23/h2-14,17-18,28,36H,15-16,19-20H2,1H3,(H,33,38)(H,34,37);2*3-18,29,36H,19-21H2,1-2H3,(H,33,37)(H,34,38);5-11,16-20,27-29,36H,3-4,12-15,21H2,1-2H3,(H,33,38)(H,34,37);2-15,18-19,29,35H,16-17,20-21H2,1H3,(H,33,36)(H,34,37);2*3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-;2*29-;27?,28?,29-;29-;2*28-/m1111111/s1.
What are the key properties of N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide?
N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide has a molecular weight of 3569.31 g/mol, XLogP of 29.87, 67 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide is sourced from PubChem (CID 158820605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).