1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide

• ChemBase ID: 215903
• Molecular Formular: C26H24N2O3
• Molecular Mass: 412.48036
• Monoisotopic Mass: 412.17869264
• SMILES: C1(N(C(=O)C1)c1ccc(cc1)OC)(C(=O)Nc1c(C)cccc1)/C=C/c1ccccc1
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CC1(/C=C/c1ccccc1)C(=O)Nc1ccccc1C
• InChI: InChI=1S/C26H24N2O3/c1-19-8-6-7-11-23(19)27-25(30)26(17-16-20-9-4-3-5-10-20)18-24(29)28(26)21-12-14-22(31-2)15-13-21/h3-17H,18H2,1-2H3,(H,27,30)/b17-16+
• InChIKey: CNNFNPMISGSZCB-WUKNDPDISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
• IUPAC Traditional name: 1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide

Database IDs

• PubChem SID: 164271813
• PubChem CID: 16406418

CALCULATED PROPERTIES

• Acid pKa: 13.127906
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.9037023
• LogD (pH = 7.4): 4.903702
• Log P: 4.9037023
• Molar Refractivity: 122.6847 cm^3
• Polarizability: 46.351433 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds