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

• ChemBase编号: 399428
• 分子式: C15H20N2O5
• 平均质量: 308.3297
• 单一同位素质量: 308.13722175
• SMILES: C1(=O)N(CC(=O)N(CCOc2cc(OC)ccc2)C)CCO1
• Canonical SMILES: COc1cccc(c1)OCCN(C(=O)CN1CCOC1=O)C
• InChI: InChI=1S/C15H20N2O5/c1-16(14(18)11-17-7-9-22-15(17)19)6-8-21-13-5-3-4-12(10-13)20-2/h3-5,10H,6-9,11H2,1-2H3
• InChIKey: KJDGJJBXANVDHP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[2-(3-methoxyphenoxy)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: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.46960115
• LogD (pH = 7.4): 0.46960115
• Log P: 0.46960115
• 摩尔折射率: 78.6295 cm^3
• 极化性: 30.71246 Å^3
• 极化表面积: 68.31 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: 5
• 质子供体: 0
• Log P: 0.67
• LOG S: -2.02
• 极化表面积: 68.31 Å^2
• 可自由旋转的化学键: 7