N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

• ChemBase ID: 192961
• Molecular Formular: C17H27NO2
• Molecular Mass: 277.40178
• Monoisotopic Mass: 277.20417911
• SMILES: C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)NC1CCCCC1
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NC1CCCCC1
• InChI: InChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)
• InChIKey: YAHQIULGINJPAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

Database IDs

• PubChem SID: 164248871
• PubChem CID: 2930121

CALCULATED PROPERTIES

• Molar Refractivity: 78.4174 cm^3
• Polarizability: 31.13381 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.810181
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.260713
• LogD (pH = 7.4): 3.260729
• Log P: 3.2607293

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds