N-ethyl-2-(3-hydroxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

• ChemBase编号: 674471
• 分子式: C19H23NO4
• 平均质量: 329.39022
• 单一同位素质量: 329.16270822
• SMILES: C(=O)(N(CCOc1cc(OC)ccc1)CC)Cc1cc(O)ccc1
• Canonical SMILES: CCN(C(=O)Cc1cccc(c1)O)CCOc1cccc(c1)OC
• InChI: InChI=1S/C19H23NO4/c1-3-20(19(22)13-15-6-4-7-16(21)12-15)10-11-24-18-9-5-8-17(14-18)23-2/h4-9,12,14,21H,3,10-11,13H2,1-2H3
• InChIKey: FWXGKWFRDGZZPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-(3-hydroxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
• IUPAC传统名: N-ethyl-2-(3-hydroxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
• 别名: N-ethyl-2-(3-hydroxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 9.438061
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.7909749
• LogD (pH = 7.4): 2.7870874
• Log P: 2.7910247
• 摩尔折射率: 92.7261 cm^3
• 极化性: 35.97608 Å^3
• 极化表面积: 59.0 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: 1
• Log P: 3.22
• LOG S: -3.77
• 极化表面积: 59.0 Å^2
• 可自由旋转的化学键: 8