N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(oxan-4-ylmethyl)acetamide

• ChemBase编号: 757857
• 分子式: C18H25N3O2
• 平均质量: 315.41
• 单一同位素质量: 315.19467706
• SMILES: c12n(c(CC(=O)N(CC3CCOCC3)CC)cn1)cccc2C
• Canonical SMILES: CCN(C(=O)Cc1cnc2n1cccc2C)CC1CCOCC1
• InChI: InChI=1S/C18H25N3O2/c1-3-20(13-15-6-9-23-10-7-15)17(22)11-16-12-19-18-14(2)5-4-8-21(16)18/h4-5,8,12,15H,3,6-7,9-11,13H2,1-2H3
• InChIKey: JWRIOZRGZFEZJF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(oxan-4-ylmethyl)acetamide
• IUPAC传统名: N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(oxan-4-ylmethyl)acetamide
• 别名: N-ethyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.45545134
• LogD (pH = 7.4): 1.1984282
• Log P: 1.2497245
• 摩尔折射率: 91.8204 cm^3
• 极化性: 34.63481 Å^3
• 极化表面积: 46.84 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: 1.52
• LOG S: -2.8
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5