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

• ChemBase编号: 228254
• 分子式: C19H21NO4
• 平均质量: 327.37434
• 单一同位素质量: 327.14705816
• SMILES: c12OCCc2ccc(c1)CC(=O)NCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CNC(=O)Cc2ccc3c(c2)OCC3)ccc1OC
• InChI: InChI=1S/C19H21NO4/c1-22-16-6-4-14(10-18(16)23-2)12-20-19(21)11-13-3-5-15-7-8-24-17(15)9-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,21)
• InChIKey: HNYPJZZPDUMLMH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164284164
• PubChem CID: 71755368

理论计算性质

• Acid pKa: 15.079401
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.3190753
• LogD (pH = 7.4): 2.3190753
• Log P: 2.3190753
• 摩尔折射率: 91.3963 cm^3
• 极化性: 35.239647 Å^3
• 极化表面积: 56.79 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