N,4,7,7-tetramethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

• ChemBase ID: 192894
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: C12(C(=O)N(c3ccccc3)C)C(C(C(=O)C1)(CC2)C)(C)C
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)N(c1ccccc1)C
• InChI: InChI=1S/C18H23NO2/c1-16(2)17(3)10-11-18(16,12-14(17)20)15(21)19(4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
• InChIKey: HJDIVYJTGLVNKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4,7,7-tetramethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
• IUPAC Traditional name: N,4,7,7-tetramethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

Database IDs

• PubChem SID: 164248804
• PubChem CID: 2930006

CALCULATED PROPERTIES

• Acid pKa: 17.168354
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3430932
• LogD (pH = 7.4): 3.3430932
• Log P: 3.3430932
• Molar Refractivity: 82.0775 cm^3
• Polarizability: 32.237747 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds