2-(4-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

• ChemBase编号: 565993
• 分子式: C18H18N2O4
• 平均质量: 326.34652
• 单一同位素质量: 326.12665707
• SMILES: N1(C(=O)OCC1)c1c(NC(=O)Cc2ccc(cc2)OC)cccc1
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccccc1N1CCOC1=O
• InChI: InChI=1S/C18H18N2O4/c1-23-14-8-6-13(7-9-14)12-17(21)19-15-4-2-3-5-16(15)20-10-11-24-18(20)22/h2-9H,10-12H2,1H3,(H,19,21)
• InChIKey: CAQVDJIQSIBCOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
• IUPAC传统名: 2-(4-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
• 别名: 2-(4-methoxyphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

理论计算性质

JChem

• Acid pKa: 12.65766
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.4371674
• LogD (pH = 7.4): 2.437165
• Log P: 2.4371674
• 摩尔折射率: 89.7396 cm^3
• 极化性: 34.014843 Å^3
• 极化表面积: 67.87 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: 4
• 质子供体: 1
• Log P: 1.92
• LOG S: -3.22
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 5