N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-phenylphenyl)methyl]acetamide

• ChemBase编号: 619631
• 分子式: C19H20N2O3
• 平均质量: 324.3737
• 单一同位素质量: 324.14739251
• SMILES: C1(=O)N(CC(=O)N(Cc2ccc(c3ccccc3)cc2)C)CCO1
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C19H20N2O3/c1-20(18(22)14-21-11-12-24-19(21)23)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
• InChIKey: IGIXPXUWWVJVJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
• IUPAC传统名: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
• 别名: N-(biphenyl-4-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.375305
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.3549213
• LogD (pH = 7.4): 2.3549213
• Log P: 2.3549213
• 摩尔折射率: 91.3629 cm^3
• 极化性: 36.541935 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.59
• LOG S: -3.78
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5