2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

• ChemBase编号: 483457
• 分子式: C23H27N3O2
• 平均质量: 377.47938
• 单一同位素质量: 377.21032712
• SMILES: c12n(c(CC(=O)N(Cc3cc(ccc3)C)CC3OCCC3)cn1)cccc2C
• Canonical SMILES: Cc1cccc(c1)CN(C(=O)Cc1cnc2n1cccc2C)CC1CCCO1
• InChI: InChI=1S/C23H27N3O2/c1-17-6-3-8-19(12-17)15-25(16-21-9-5-11-28-21)22(27)13-20-14-24-23-18(2)7-4-10-26(20)23/h3-4,6-8,10,12,14,21H,5,9,11,13,15-16H2,1-2H3
• InChIKey: GZKCPUYQIZUEOI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
• IUPAC传统名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
• 别名: N-(3-methylbenzyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.333341
• LogD (pH = 7.4): 3.076317
• Log P: 3.1276133
• 摩尔折射率: 111.6868 cm^3
• 极化性: 42.30837 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.88
• LOG S: -4.41
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6