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

• ChemBase ID: 430974
• Molecular Formular: C16H16N2O
• Molecular Mass: 252.31104
• Monoisotopic Mass: 252.12626314
• SMILES: N(c1c(/C=C/c2ccccc2)cccc1)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccccc1/C=C/c1ccccc1
• InChI: InChI=1S/C16H16N2O/c17-12-16(19)18-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-11H,12,17H2,(H,18,19)/b11-10+
• InChIKey: MIIGVTXCHHNSKH-ZHACJKMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-{2-[(E)-2-phenylethenyl]phenyl}acetamide
• IUPAC Traditional name: 2-amino-N-{2-[(E)-2-phenylethenyl]phenyl}acetamide
• Synonyms: N~1~-{2-[(E)-2-phenylvinyl]phenyl}glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.060523
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2536184
• LogD (pH = 7.4): 1.9480147
• Log P: 2.6266673
• Molar Refractivity: 79.7355 cm^3
• Polarizability: 29.958618 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.1
• LOG S: -2.83
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4