N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide

C35H32N4O3 — CID 67931176

IUPACN-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)Cc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C35H32N4O3/c40-32(36-20-19-24-11-3-1-4-12-24)23-39-31-18-10-8-16-27(31)21-28(25-13-5-2-6-14-25)33(35(39)42)38-34(41)30-22-26-15-7-9-17-29(26)37-30/h1-18,22,28,33,37H,19-21,23H2,(H,36,40)(H,38,41)/t28-,33-/m0/s1
InChIKeyYDVGKMREBSYQDN-UVMMSNCQSA-N
MW556.67 g/mol
LogP5.00
Rot. Bonds8

About N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide

N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide (PubChem CID 67931176) has the molecular formula C35H32N4O3 and a molecular weight of 556.67 g/mol. Its IUPAC name is N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide
PubChem CID67931176
Molecular FormulaC35H32N4O3
Molecular Weight556.67 g/mol
Exact Mass556.25
IUPAC NameN-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)Cc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C35H32N4O3/c40-32(36-20-19-24-11-3-1-4-12-24)23-39-31-18-10-8-16-27(31)21-28(25-13-5-2-6-14-25)33(35(39)42)38-34(41)30-22-26-15-7-9-17-29(26)37-30/h1-18,22,28,33,37H,19-21,23H2,(H,36,40)(H,38,41)/t28-,33-/m0/s1
InChIKeyYDVGKMREBSYQDN-UVMMSNCQSA-N
XLogP5.00
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.67
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide 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

N-[(3R,4R)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide
CID 54503129
N-[(2S,3R)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 54477602
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
N-[5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide;hydrate
CID 19993568
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58721826
2-[1-[(2S)-2-(1H-indole-2-carbonylamino)-3-phenylpropanoyl]-2,3-dihydroindol-2-yl]acetic acid
CID 54045725
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
(2S)-N-[(3R,4S)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-5-oxooxolane-2-carboxamide
CID 54055684
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide (CID 67931176) is N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide is O=C(CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)Cc2ccccc21)NCCc1ccccc1.
What is the InChIKey of N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is YDVGKMREBSYQDN-UVMMSNCQSA-N. The full InChI is InChI=1S/C35H32N4O3/c40-32(36-20-19-24-11-3-1-4-12-24)23-39-31-18-10-8-16-27(31)21-28(25-13-5-2-6-14-25)33(35(39)42)38-34(41)30-22-26-15-7-9-17-29(26)37-30/h1-18,22,28,33,37H,19-21,23H2,(H,36,40)(H,38,41)/t28-,33-/m0/s1.
What are the key properties of N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide?
N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 556.67 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67931176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).