N-butyl-N-phenylazepane-1-carboxamide

C17H26N2O — CID 116656340

IUPACN-butyl-N-phenylazepane-1-carboxamide
SMILESCCCCN(C(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-15-19(16-11-7-6-8-12-16)17(20)18-13-9-4-5-10-14-18/h6-8,11-12H,2-5,9-10,13-15H2,1H3
InChIKeyVAIVDQIKYYYASR-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.29
Rot. Bonds4

About N-butyl-N-phenylazepane-1-carboxamide

N-butyl-N-phenylazepane-1-carboxamide (PubChem CID 116656340) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-butyl-N-phenylazepane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-phenylazepane-1-carboxamide
PubChem CID116656340
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-butyl-N-phenylazepane-1-carboxamide
SMILESCCCCN(C(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-15-19(16-11-7-6-8-12-16)17(20)18-13-9-4-5-10-14-18/h6-8,11-12H,2-5,9-10,13-15H2,1H3
InChIKeyVAIVDQIKYYYASR-UHFFFAOYSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide
CID 64586962
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
octyl(phenyl)carbamic acid
CID 54301990
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylazepane-1-carboxamide?
The IUPAC name of N-butyl-N-phenylazepane-1-carboxamide (CID 116656340) is N-butyl-N-phenylazepane-1-carboxamide.
What is the SMILES notation for N-butyl-N-phenylazepane-1-carboxamide?
The canonical SMILES for N-butyl-N-phenylazepane-1-carboxamide is CCCCN(C(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylazepane-1-carboxamide?
The InChIKey is VAIVDQIKYYYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-15-19(16-11-7-6-8-12-16)17(20)18-13-9-4-5-10-14-18/h6-8,11-12H,2-5,9-10,13-15H2,1H3.
What are the key properties of N-butyl-N-phenylazepane-1-carboxamide?
N-butyl-N-phenylazepane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylazepane-1-carboxamide is sourced from PubChem (CID 116656340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).