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

• ChemBase编号: 227436
• 分子式: C19H21NO3
• 平均质量: 311.37494
• 单一同位素质量: 311.15214354
• SMILES: c12OCCc2ccc(c1)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1ccc2c(c1)OCC2
• InChI: InChI=1S/C19H21NO3/c1-22-17-6-3-14(4-7-17)8-10-20-19(21)13-15-2-5-16-9-11-23-18(16)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,21)
• InChIKey: MUJGCVANVJOICC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164283346
• PubChem CID: 71754565

理论计算性质

• Acid pKa: 15.465113
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.7654078
• LogD (pH = 7.4): 2.7654078
• Log P: 2.7654078
• 摩尔折射率: 89.6881 cm^3
• 极化性: 34.56113 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

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds