2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide

C14H24N2O2 — CID 108504369

IUPAC2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O2/c17-13(15-12-8-4-3-5-9-12)14(18)16-10-6-1-2-7-11-16/h12H,1-11H2,(H,15,17)
InChIKeyQNWVJRIJJSYBPJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds1

About 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide

2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide (PubChem CID 108504369) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
PubChem CID108504369
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O2/c17-13(15-12-8-4-3-5-9-12)14(18)16-10-6-1-2-7-11-16/h12H,1-11H2,(H,15,17)
InChIKeyQNWVJRIJJSYBPJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
2-(azetidin-1-yl)-N-cyclobutyl-2-oxoacetamide
CID 131176582
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide
CID 56749581

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide (CID 108504369) is 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide?
The InChIKey is QNWVJRIJJSYBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(15-12-8-4-3-5-9-12)14(18)16-10-6-1-2-7-11-16/h12H,1-11H2,(H,15,17).
What are the key properties of 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide?
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 108504369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).