4-oxo-N-(1-phenylethyl)azepane-2-carboxamide

C15H20N2O2 — CID 69030243

IUPAC4-oxo-N-(1-phenylethyl)azepane-2-carboxamide
SMILESCC(NC(=O)C1CC(=O)CCCN1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-6-3-2-4-7-12)17-15(19)14-10-13(18)8-5-9-16-14/h2-4,6-7,11,14,16H,5,8-10H2,1H3,(H,17,19)
InChIKeyCQHKLSNHOPDTAX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.58
Rot. Bonds3

About 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide

4-oxo-N-(1-phenylethyl)azepane-2-carboxamide (PubChem CID 69030243) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1-phenylethyl)azepane-2-carboxamide
PubChem CID69030243
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-oxo-N-(1-phenylethyl)azepane-2-carboxamide
SMILESCC(NC(=O)C1CC(=O)CCCN1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-6-3-2-4-7-12)17-15(19)14-10-13(18)8-5-9-16-14/h2-4,6-7,11,14,16H,5,8-10H2,1H3,(H,17,19)
InChIKeyCQHKLSNHOPDTAX-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-oxo-N-(1-phenylethyl)azepane-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-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide?
The IUPAC name of 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide (CID 69030243) is 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide?
The canonical SMILES for 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide is CC(NC(=O)C1CC(=O)CCCN1)c1ccccc1.
What is the InChIKey of 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide?
The InChIKey is CQHKLSNHOPDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(12-6-3-2-4-7-12)17-15(19)14-10-13(18)8-5-9-16-14/h2-4,6-7,11,14,16H,5,8-10H2,1H3,(H,17,19).
What are the key properties of 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide?
4-oxo-N-(1-phenylethyl)azepane-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1-phenylethyl)azepane-2-carboxamide is sourced from PubChem (CID 69030243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).