N-[2-(2-methoxyphenoxy)ethyl]benzamide

• ChemBase编号: 173103
• 分子式: C16H17NO3
• 平均质量: 271.31108
• 单一同位素质量: 271.12084341
• SMILES: c1cccc(c1OC)OCCNC(=O)c1ccccc1
• Canonical SMILES: COc1ccccc1OCCNC(=O)c1ccccc1
• InChI: InChI=1S/C16H17NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
• InChIKey: QRHQEMPTOSMWFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-methoxyphenoxy)ethyl]benzamide
• IUPAC传统名: N-[2-(2-methoxyphenoxy)ethyl]benzamide
• 别名: N-Benzoyl-2-(2-methoxyphenoxy)ethylamine; N-[2-(o-Methoxyphenoxy)ethyl]benzoylamine; N-[2-(2-Methoxyphenoxy)ethyl]benzoylamine

登记号

• PubChem SID: 164229013
• PubChem CID: 51157249

理论计算性质

• Acid pKa: 14.976957
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.5339403
• LogD (pH = 7.4): 2.5339406
• Log P: 2.5339406
• 摩尔折射率: 77.0485 cm^3
• 极化性: 29.631504 Å^3
• 极化表面积: 47.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Colourless Syrup

详细说明

Toronto Research Chemicals - M265665

Intermediate in the preparation of Carvedilol derivatives.