N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide

• ChemBase编号: 701570
• 分子式: C19H21NO2
• 平均质量: 295.37554
• 单一同位素质量: 295.15722892
• SMILES: C(=O)(N(CC1Oc2c(C1)cccc2)C)Cc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)CC(=O)N(CC1Cc2c(O1)cccc2)C
• InChI: InChI=1S/C19H21NO2/c1-14-6-5-7-15(10-14)11-19(21)20(2)13-17-12-16-8-3-4-9-18(16)22-17/h3-10,17H,11-13H2,1-2H3
• InChIKey: GZCKXZIFWAQULP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide
• IUPAC传统名: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide
• 别名: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.5085301
• LogD (pH = 7.4): 3.5085301
• Log P: 3.5085301
• 摩尔折射率: 87.5544 cm^3
• 极化性: 33.898067 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.79
• LOG S: -4.48
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4