3-(2-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

• ChemBase编号: 628997
• 分子式: C19H20N2O4
• 平均质量: 340.3731
• 单一同位素质量: 340.14230713
• SMILES: C1(=O)N(CCNC(=O)c2cc(c3c(OC)cccc3)ccc2)CCO1
• Canonical SMILES: COc1ccccc1c1cccc(c1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C19H20N2O4/c1-24-17-8-3-2-7-16(17)14-5-4-6-15(13-14)18(22)20-9-10-21-11-12-25-19(21)23/h2-8,13H,9-12H2,1H3,(H,20,22)
• InChIKey: CVELVFKOKZJKRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• IUPAC传统名: 3-(2-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• 别名: 2'-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]biphenyl-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.012963
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.230421
• LogD (pH = 7.4): 2.2304213
• Log P: 2.2304213
• 摩尔折射率: 93.5774 cm^3
• 极化性: 37.00108 Å^3
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 2.29
• LOG S: -3.64
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 6