2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

• ChemBase编号: 228231
• 分子式: C20H23NO4
• 平均质量: 341.40092
• 单一同位素质量: 341.16270822
• SMILES: c12OCCc2ccc(c1)CC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)Cc2ccc3c(c2)OCC3)ccc1OC
• InChI: InChI=1S/C20H23NO4/c1-23-17-6-4-14(11-19(17)24-2)7-9-21-20(22)13-15-3-5-16-8-10-25-18(16)12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,22)
• InChIKey: AIMIUKXZGWNRJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
• IUPAC传统名: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

登记号

• PubChem SID: 164284141
• PubChem CID: 71755346

理论计算性质

• Acid pKa: 15.313825
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.6077366
• LogD (pH = 7.4): 2.6077366
• Log P: 2.6077366
• 摩尔折射率: 96.1513 cm^3
• 极化性: 37.08159 Å^3
• 极化表面积: 56.79 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds