4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide

C18H26N2O2 — CID 23724300

IUPAC4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15(16-9-5-4-6-10-16)19-17(21)11-12-18(22)20-13-7-2-3-8-14-20/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,19,21)
InChIKeyGOSWJVIBLKIEMZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.05
Rot. Bonds5

About 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide

4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide (PubChem CID 23724300) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
PubChem CID23724300
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15(16-9-5-4-6-10-16)19-17(21)11-12-18(22)20-13-7-2-3-8-14-20/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,19,21)
InChIKeyGOSWJVIBLKIEMZ-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide (CID 23724300) is 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide is CC(NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The InChIKey is GOSWJVIBLKIEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15(16-9-5-4-6-10-16)19-17(21)11-12-18(22)20-13-7-2-3-8-14-20/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,19,21).
What are the key properties of 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide?
4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide has a molecular weight of 302.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 23724300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).