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

C22H26N4O2 — CID 23848197

IUPACN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESNC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2
InChIInChI=1S/C22H26N4O2/c23-16-8-4-5-9-17(16)26-22(28)15-10-11-18-20(12-15)25-21(27)13-19(24-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16-17,19,24H,4-5,8-9,13,23H2,(H,25,27)(H,26,28)
InChIKeyUAEYPUIMRMHCET-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.18
Rot. Bonds3

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

N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (PubChem CID 23848197) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
PubChem CID23848197
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESNC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2
InChIInChI=1S/C22H26N4O2/c23-16-8-4-5-9-17(16)26-22(28)15-10-11-18-20(12-15)25-21(27)13-19(24-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16-17,19,24H,4-5,8-9,13,23H2,(H,25,27)(H,26,28)
InChIKeyUAEYPUIMRMHCET-UHFFFAOYSA-N
XLogP3.18
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23879925
N-(2-aminocyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711439
N-(2-aminocyclohexyl)-1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852395
1-acetyl-N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852140
N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23857381
4-methyl-2-[(4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carbonyl)amino]pentanoic acid
CID 23855028
N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851572
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclohexyl)-2-(2,4-dichlorophenyl)-4-oxo-1-(2-phenoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23763909
phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
CID 23736294
N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23849249

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (CID 23848197) is N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is NC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CC(c1ccccc1)N2.
What is the InChIKey of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The InChIKey is UAEYPUIMRMHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-16-8-4-5-9-17(16)26-22(28)15-10-11-18-20(12-15)25-21(27)13-19(24-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16-17,19,24H,4-5,8-9,13,23H2,(H,25,27)(H,26,28).
What are the key properties of N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 23848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).