methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate

• ChemBase编号: 406214
• 分子式: C14H21NO5
• 平均质量: 283.32024
• 单一同位素质量: 283.14197278
• SMILES: c1(c(OC)cccc1OC)OCCN(CC(=O)OC)C
• Canonical SMILES: COC(=O)CN(CCOc1c(OC)cccc1OC)C
• InChI: InChI=1S/C14H21NO5/c1-15(10-13(16)19-4)8-9-20-14-11(17-2)6-5-7-12(14)18-3/h5-7H,8-10H2,1-4H3
• InChIKey: GYXSWXMWVXDZML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate
• IUPAC传统名: methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate
• 别名: methyl [[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino]acetate

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.45533898
• LogD (pH = 7.4): 1.1220765
• Log P: 1.142754
• 摩尔折射率: 74.3204 cm^3
• 极化性: 29.415081 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 1.72
• LOG S: -1.73
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 9