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

• ChemBase ID: 193525
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: C12(C(=C)C(C(C1)CC2)(C)C)C(=O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)C12CCC(C1)C(C2=C)(C)C
• InChI: InChI=1S/C18H23NO2/c1-12-17(2,3)13-9-10-18(12,11-13)16(20)19-14-5-7-15(21-4)8-6-14/h5-8,13H,1,9-11H2,2-4H3,(H,19,20)
• InChIKey: BDPFUXZERTWMOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249435
• PubChem CID: 2930520

CALCULATED PROPERTIES

• Acid pKa: 14.197447
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6279655
• LogD (pH = 7.4): 3.6279655
• Log P: 3.6279655
• Molar Refractivity: 84.5826 cm^3
• Polarizability: 32.60265 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds