N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

• ChemBase编号: 487648
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: C(=O)(C(c1ccc(cc1)C)N(C)C)NCCCOC1CCCC1
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCCCOC1CCCC1)C
• InChI: InChI=1S/C19H30N2O2/c1-15-9-11-16(12-10-15)18(21(2)3)19(22)20-13-6-14-23-17-7-4-5-8-17/h9-12,17-18H,4-8,13-14H2,1-3H3,(H,20,22)
• InChIKey: SLOSEPDIFPMKAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• IUPAC传统名: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• 别名: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.779529
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.0266434
• LogD (pH = 7.4): 2.6112292
• Log P: 2.9024231
• 摩尔折射率: 94.5128 cm^3
• 极化性: 36.889713 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.29
• LOG S: -4.33
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 8