2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide

• ChemBase编号: 181631
• 分子式: C16H24N2O3
• 平均质量: 292.37336
• 单一同位素质量: 292.17869264
• SMILES: c1(cc(c(cc1)OC)OC)C1(CNCC(=O)N)CCCC1
• Canonical SMILES: COc1cc(ccc1OC)C1(CNCC(=O)N)CCCC1
• InChI: InChI=1S/C16H24N2O3/c1-20-13-6-5-12(9-14(13)21-2)16(7-3-4-8-16)11-18-10-15(17)19/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,19)
• InChIKey: GPRYDLWCWIFYLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide
• IUPAC传统名: 2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide

登记号

• PubChem SID: 164237541
• PubChem CID: 609631

理论计算性质

• Acid pKa: 15.69363
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.5747168
• LogD (pH = 7.4): 0.02927634
• Log P: 1.3443391
• 摩尔折射率: 81.1637 cm^3
• 极化性: 32.02478 Å^3
• 极化表面积: 73.58 Å^2
• 可自由旋转的化学键: 7
• 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