N-ethyl-2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[2-(3-methylphenoxy)ethyl]acetamide

• ChemBase编号: 329804
• 分子式: C21H25N3O2
• 平均质量: 351.4421
• 单一同位素质量: 351.19467706
• SMILES: c1(n2c(nc1C)cccc2)CC(=O)N(CCOc1cc(ccc1)C)CC
• Canonical SMILES: CCN(C(=O)Cc1c(C)nc2n1cccc2)CCOc1cccc(c1)C
• InChI: InChI=1S/C21H25N3O2/c1-4-23(12-13-26-18-9-7-8-16(2)14-18)21(25)15-19-17(3)22-20-10-5-6-11-24(19)20/h5-11,14H,4,12-13,15H2,1-3H3
• InChIKey: GMCZYFFXZKPWAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[2-(3-methylphenoxy)ethyl]acetamide
• IUPAC传统名: N-ethyl-2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[2-(3-methylphenoxy)ethyl]acetamide
• 别名: N-ethyl-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8828418
• LogD (pH = 7.4): 2.5775635
• Log P: 2.6033576
• 摩尔折射率: 103.6706 cm^3
• 极化性: 39.342983 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.58
• LOG S: -4.82
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7