N-methyl-2-{4-[(E)-2-phenylethenyl]phenyl}acetamide

• ChemBase ID: 563363
• Molecular Formular: C17H17NO
• Molecular Mass: 251.32298
• Monoisotopic Mass: 251.13101417
• SMILES: C(=O)(Cc1ccc(/C=C/c2ccccc2)cc1)NC
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C17H17NO/c1-18-17(19)13-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19)/b8-7+
• InChIKey: ZZICNRUXTFFYBS-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{4-[(E)-2-phenylethenyl]phenyl}acetamide
• IUPAC Traditional name: N-methyl-2-{4-[(E)-2-phenylethenyl]phenyl}acetamide
• Synonyms: N-methyl-2-{4-[(E)-2-phenylvinyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.81903
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3675685
• LogD (pH = 7.4): 3.3675685
• Log P: 3.3675685
• Molar Refractivity: 79.5393 cm^3
• Polarizability: 30.295544 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.15
• LOG S: -3.72
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4