2-(dimethylamino)-N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]acetamide

• ChemBase编号: 557332
• 分子式: C15H24N2O3
• 平均质量: 280.36266
• 单一同位素质量: 280.17869264
• SMILES: C(=O)(N(CCOc1ccc(cc1)OC)CC)CN(C)C
• Canonical SMILES: CCN(C(=O)CN(C)C)CCOc1ccc(cc1)OC
• InChI: InChI=1S/C15H24N2O3/c1-5-17(15(18)12-16(2)3)10-11-20-14-8-6-13(19-4)7-9-14/h6-9H,5,10-12H2,1-4H3
• InChIKey: QKCKDYQIYLYQLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
• IUPAC传统名: 2-(dimethylamino)-N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
• 别名: 2-(dimethylamino)-N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.8385855
• LogD (pH = 7.4): 0.79831433
• Log P: 1.1517485
• 摩尔折射率: 79.4523 cm^3
• 极化性: 30.988876 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.75
• LOG S: -3.59
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 8