N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

• ChemBase编号: 183231
• 分子式: C19H26N2O3
• 平均质量: 330.42134
• 单一同位素质量: 330.1943427
• SMILES: c12[nH]c3c(c1CCCC2N(C(=O)C)CC(OC)OC)cc(cc3)C
• Canonical SMILES: COC(CN(C1CCCc2c1[nH]c1c2cc(cc1)C)C(=O)C)OC
• InChI: InChI=1S/C19H26N2O3/c1-12-8-9-16-15(10-12)14-6-5-7-17(19(14)20-16)21(13(2)22)11-18(23-3)24-4/h8-10,17-18,20H,5-7,11H2,1-4H3
• InChIKey: LKAOPDXSWUVDDL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
• IUPAC传统名: N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

登记号

• PubChem SID: 164239141
• PubChem CID: 3804566

理论计算性质

• Acid pKa: 16.752655
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.8944411
• LogD (pH = 7.4): 2.8944414
• Log P: 2.8944414
• 摩尔折射率: 93.8835 cm^3
• 极化性: 37.49133 Å^3
• 极化表面积: 54.56 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Isomers
• 分类: Derivatives & analogs of Natural Compounds