2-(dimethylamino)-N-(furan-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide

• ChemBase编号: 791595
• 分子式: C17H22N2O2
• 平均质量: 286.36878
• 单一同位素质量: 286.16812795
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)N(Cc1occc1)C
• Canonical SMILES: CN(C(C(=O)N(Cc1ccco1)C)c1cccc(c1)C)C
• InChI: InChI=1S/C17H22N2O2/c1-13-7-5-8-14(11-13)16(18(2)3)17(20)19(4)12-15-9-6-10-21-15/h5-11,16H,12H2,1-4H3
• InChIKey: GKZCXSWXSUYYGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-(furan-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-N-(furan-2-ylmethyl)-N-methyl-2-(3-methylphenyl)acetamide
• 别名: 2-(dimethylamino)-N-(2-furylmethyl)-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): 0.6507877
• LogD (pH = 7.4): 2.2434561
• Log P: 2.5431328
• 摩尔折射率: 84.0909 cm^3
• 极化性: 32.328106 Å^3
• 极化表面积: 36.69 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.85
• LOG S: -3.72
• 极化表面积: 36.69 Å^2
• 可自由旋转的化学键: 5