N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide

C16H24N2O — CID 116655376

IUPACN-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
SMILESCCN(C(=O)N1CCCCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(15-10-8-14(2)9-11-15)16(19)17-12-6-4-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3
InChIKeyAMGKTFXVFUGWRT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.82
Rot. Bonds2

About N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide

N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide (PubChem CID 116655376) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
PubChem CID116655376
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
SMILESCCN(C(=O)N1CCCCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(15-10-8-14(2)9-11-15)16(19)17-12-6-4-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3
InChIKeyAMGKTFXVFUGWRT-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-(4-methylphenyl)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

N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
2-(1,4-diazepan-1-yl)-N-ethyl-N-(4-methylphenyl)-2-oxoacetamide
CID 62004026
N-butyl-N-phenylazepane-1-carboxamide
CID 116656340
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934263
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide (CID 116655376) is N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide is CCN(C(=O)N1CCCCCC1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide?
The InChIKey is AMGKTFXVFUGWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(15-10-8-14(2)9-11-15)16(19)17-12-6-4-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide?
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 116655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).