N-cycloheptyl-3-oxobutanamide

• ChemBase ID: 312644
• Molecular Formular: C11H19NO2
• Molecular Mass: 197.27406
• Monoisotopic Mass: 197.14157885
• SMILES: C(=O)(CC(=O)C)NC1CCCCCC1
• Canonical SMILES: O=C(CC(=O)C)NC1CCCCCC1
• InChI: InChI=1S/C11H19NO2/c1-9(13)8-11(14)12-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
• InChIKey: GNAZFTVQGVRDNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-3-oxobutanamide
• IUPAC Traditional name: N-cycloheptyl-3-oxobutanamide
• Synonyms: N-cycloheptyl-3-oxobutanamide

Database IDs

• CAS Number: 58102-38-8
• MDL Number: MFCD00021669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6590714
• LogD (pH = 7.4): 1.6583269
• Log P: 1.6590809
• Molar Refractivity: 54.873 cm^3
• Polarizability: 21.5472 Å^3
• Polar Surface Area: 46.17 Å^2