N-(2,2-dimethyloxan-4-yl)-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase编号: 227015
• 分子式: C18H24N2O2
• 平均质量: 300.39536
• 单一同位素质量: 300.18377802
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: O=C(Cc1cn(c2c1cccc2)C)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C18H24N2O2/c1-18(2)11-14(8-9-22-18)19-17(21)10-13-12-20(3)16-7-5-4-6-15(13)16/h4-7,12,14H,8-11H2,1-3H3,(H,19,21)
• InChIKey: VBPKMTIOEITBED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2-dimethyloxan-4-yl)-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-(2,2-dimethyloxan-4-yl)-2-(1-methylindol-3-yl)acetamide

登记号

• PubChem SID: 164282925
• PubChem CID: 71754156

理论计算性质

• Acid pKa: 15.906204
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.0085034
• LogD (pH = 7.4): 2.0085034
• Log P: 2.0085034
• 摩尔折射率: 87.6002 cm^3
• 极化性: 35.048584 Å^3
• 极化表面积: 43.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds