N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 403161
• 分子式: C16H22N2O4
• 平均质量: 306.35688
• 单一同位素质量: 306.15795719
• SMILES: C1(=O)N(CC(=O)N(CCOc2c(CC)cccc2)C)CCO1
• Canonical SMILES: CCc1ccccc1OCCN(C(=O)CN1CCOC1=O)C
• InChI: InChI=1S/C16H22N2O4/c1-3-13-6-4-5-7-14(13)21-10-8-17(2)15(19)12-18-9-11-22-16(18)20/h4-7H,3,8-12H2,1-2H3
• InChIKey: RMPLMIRHISAXAC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.39926
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5852625
• LogD (pH = 7.4): 1.5852625
• Log P: 1.5852625
• 摩尔折射率: 81.8085 cm^3
• 极化性: 31.757551 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.87
• LOG S: -3.03
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7