ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate

• ChemBase编号: 161866
• 分子式: C19H23NO3
• 平均质量: 313.39082
• 单一同位素质量: 313.1677936
• SMILES: c1c(cccc1C(C)N(C)C(=O)OCC)OCc1ccccc1
• Canonical SMILES: CCOC(=O)N(C(c1cccc(c1)OCc1ccccc1)C)C
• InChI: InChI=1S/C19H23NO3/c1-4-22-19(21)20(3)15(2)17-11-8-12-18(13-17)23-14-16-9-6-5-7-10-16/h5-13,15H,4,14H2,1-3H3
• InChIKey: AILWQHZCBRQEHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate
• IUPAC传统名: ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate
• 别名: N-[1-(3'-Benzyloxyphenyl)ethyl]-N-methyl-O-ethylcarbamate

登记号

• CAS号: 1159977-08-8
• PubChem SID: 162256001
• PubChem CID: 46780776

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.1010127
• LogD (pH = 7.4): 4.1010127
• Log P: 4.1010127
• 摩尔折射率: 90.7387 cm^3
• 极化性: 35.382847 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Colourless Oil