2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(3-phenylphenyl)methyl]acetamide

• ChemBase ID: 682231
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1cc(c2ccccc2)ccc1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C20H21N3O3/c1-22-17(19(25)23(2)20(22)26)12-18(24)21-13-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,21,24)
• InChIKey: BJEKJZAGYGLXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(3-phenylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(3-phenylphenyl)methyl]acetamide
• Synonyms: N-(biphenyl-3-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.19198
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.712516
• LogD (pH = 7.4): 1.7125158
• Log P: 1.712516
• Molar Refractivity: 97.8365 cm^3
• Polarizability: 38.89496 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.96
• LOG S: -2.58
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5