N-cyclobutyl-2-(dimethylamino)-2-(2-methylphenyl)acetamide

• ChemBase编号: 839159
• 分子式: C15H22N2O
• 平均质量: 246.34798
• 单一同位素质量: 246.17321333
• SMILES: C(=O)(C(c1c(C)cccc1)N(C)C)NC1CCC1
• Canonical SMILES: CN(C(c1ccccc1C)C(=O)NC1CCC1)C
• InChI: InChI=1S/C15H22N2O/c1-11-7-4-5-10-13(11)14(17(2)3)15(18)16-12-8-6-9-12/h4-5,7,10,12,14H,6,8-9H2,1-3H3,(H,16,18)
• InChIKey: CBCLTCVHRXJYBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclobutyl-2-(dimethylamino)-2-(2-methylphenyl)acetamide
• IUPAC传统名: N-cyclobutyl-2-(dimethylamino)-2-(2-methylphenyl)acetamide
• 别名: N-cyclobutyl-2-(dimethylamino)-2-(2-methylphenyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.688047
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.5459909
• LogD (pH = 7.4): 2.1417997
• Log P: 2.4448702
• 摩尔折射率: 74.0029 cm^3
• 极化性: 28.83654 Å^3
• 极化表面积: 32.34 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: 1
• Log P: 2.39
• LOG S: -3.04
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 4