N-(4-acetylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

• ChemBase ID: 193389
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: C12(C(=C)C(C(C1)CC2)(C)C)C(=O)Nc1ccc(C(=O)C)cc1
• Canonical SMILES: O=C(C12CCC(C1)C(C2=C)(C)C)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C19H23NO2/c1-12(21)14-5-7-16(8-6-14)20-17(22)19-10-9-15(11-19)18(3,4)13(19)2/h5-8,15H,2,9-11H2,1,3-4H3,(H,20,22)
• InChIKey: GZRSFDHLYNQBBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
• IUPAC Traditional name: N-(4-acetylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

Database IDs

• PubChem SID: 164249299
• PubChem CID: 5133537

CALCULATED PROPERTIES

• Acid pKa: 13.180903
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3432841
• LogD (pH = 7.4): 3.3432837
• Log P: 3.3432844
• Molar Refractivity: 88.5222 cm^3
• Polarizability: 33.819416 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds