N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

C30H32N4O3 — CID 23879925

IUPACN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESNC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2C(=O)Cc1ccccc1
InChIInChI=1S/C30H32N4O3/c31-23-13-7-8-14-24(23)33-30(37)22-15-16-26-25(18-22)32-28(35)19-27(21-11-5-2-6-12-21)34(26)29(36)17-20-9-3-1-4-10-20/h1-6,9-12,15-16,18,23-24,27H,7-8,13-14,17,19,31H2,(H,32,35)(H,33,37)
InChIKeyMWTYRIUXTFAOMT-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.35
Rot. Bonds5

About N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (PubChem CID 23879925) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
PubChem CID23879925
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESNC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2C(=O)Cc1ccccc1
InChIInChI=1S/C30H32N4O3/c31-23-13-7-8-14-24(23)33-30(37)22-15-16-26-25(18-22)32-28(35)19-27(21-11-5-2-6-12-21)34(26)29(36)17-20-9-3-1-4-10-20/h1-6,9-12,15-16,18,23-24,27H,7-8,13-14,17,19,31H2,(H,32,35)(H,33,37)
InChIKeyMWTYRIUXTFAOMT-UHFFFAOYSA-N
XLogP4.35
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (CID 23879925) is N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is NC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2C(=O)Cc1ccccc1.
What is the InChIKey of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The InChIKey is MWTYRIUXTFAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c31-23-13-7-8-14-24(23)33-30(37)22-15-16-26-25(18-22)32-28(35)19-27(21-11-5-2-6-12-21)34(26)29(36)17-20-9-3-1-4-10-20/h1-6,9-12,15-16,18,23-24,27H,7-8,13-14,17,19,31H2,(H,32,35)(H,33,37).
What are the key properties of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 23879925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).