N-[2-(4-chlorophenoxy)ethyl]-N-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 569377
• 分子式: C15H19ClN2O4
• 平均质量: 326.77536
• 单一同位素质量: 326.10333478
• SMILES: C1(=O)N(CC(=O)N(CCOc2ccc(Cl)cc2)CC)CCO1
• Canonical SMILES: CCN(C(=O)CN1CCOC1=O)CCOc1ccc(cc1)Cl
• InChI: InChI=1S/C15H19ClN2O4/c1-2-17(14(19)11-18-8-10-22-15(18)20)7-9-21-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3
• InChIKey: YZTJZRJIQWHTNU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.368235
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5881251
• LogD (pH = 7.4): 1.5881251
• Log P: 1.5881251
• 摩尔折射率: 81.7197 cm^3
• 极化性: 31.911737 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: 2.09
• LOG S: -3.37
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7