N-cyclooctyl-3-oxobutanamide

• ChemBase ID: 311442
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: C(=O)(CC(=O)C)NC1CCCCCCC1
• Canonical SMILES: O=C(CC(=O)C)NC1CCCCCCC1
• InChI: InChI=1S/C12H21NO2/c1-10(14)9-12(15)13-11-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3,(H,13,15)
• InChIKey: WISHOQVCIWQGMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58102-36-6
• MDL Number: MFCD01250246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.10364
• LogD (pH = 7.4): 2.1028955
• Log P: 2.1036496
• Molar Refractivity: 59.474 cm^3
• Polarizability: 23.385715 Å^3
• Polar Surface Area: 46.17 Å^2