N-(3-acetylphenyl)azepane-1-carboxamide

C15H20N2O2 — CID 970026

IUPACN-(3-acetylphenyl)azepane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H20N2O2/c1-12(18)13-7-6-8-14(11-13)16-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,16,19)
InChIKeyPWCCIYWPJXPVPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.30
Rot. Bonds2

About N-(3-acetylphenyl)azepane-1-carboxamide

N-(3-acetylphenyl)azepane-1-carboxamide (PubChem CID 970026) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)azepane-1-carboxamide
PubChem CID970026
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-acetylphenyl)azepane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H20N2O2/c1-12(18)13-7-6-8-14(11-13)16-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,16,19)
InChIKeyPWCCIYWPJXPVPL-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-acetylphenyl)azepane-1-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

4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide
CID 71462653
N-(3-acetylphenyl)morpholine-4-carboxamide
CID 671267
3'-Acetamidoacetophenone
CID 346202
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
N-(3-Acetylphenyl)-N'-phenylurea
CID 295256
N1-phenyl-4-benzoylpiperidine-1-carboxamide
CID 2740754
3-amino-N,N-diethylbenzamide
CID 268126
3-[(2-ethylbutanoyl)amino]-N-(2-phenylethyl)benzamide
CID 974090
N-(3-acetylphenyl)pyrrolidine-1-carbothioamide
CID 978150
N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide
CID 2548692
N-benzyl-3-(dimethylamino)benzamide
CID 2567270
N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2955257

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)azepane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)azepane-1-carboxamide (CID 970026) is N-(3-acetylphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)azepane-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)azepane-1-carboxamide?
The InChIKey is PWCCIYWPJXPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(18)13-7-6-8-14(11-13)16-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,16,19).
What are the key properties of N-(3-acetylphenyl)azepane-1-carboxamide?
N-(3-acetylphenyl)azepane-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 970026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).