3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(2H7)propan-2-yl]propanamide

• ChemBase编号: 167918
• 分子式: C23H31NO2
• 平均质量: 353.49774
• 单一同位素质量: 353.23547924
• SMILES: c1cc(cc(c1OC)C(CC(=O)N(C(C)C)C(C)C)c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1C(c1ccccc1)CC(=O)N(C(C)C)C(C)C)C
• InChI: InChI=1S/C23H31NO2/c1-16(2)24(17(3)4)23(25)15-20(19-10-8-7-9-11-19)21-14-18(5)12-13-22(21)26-6/h7-14,16-17,20H,15H2,1-6H3
• InChIKey: BXYCIYQHBLEYJW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(^2H₇)propan-2-yl]propanamide
• IUPAC传统名: 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(^2H₇)propan-2-yl]propanamide
• 别名: N,N-Diisopropyl-3-(2-methoxy-5-methyl-phenyl)-3-phenylpropylamide-d14

登记号

• PubChem SID: 162262051
• PubChem CID: 71316289

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.0193105
• LogD (pH = 7.4): 5.0193114
• Log P: 5.0193114
• 摩尔折射率: 108.065 cm^3
• 极化性: 42.014385 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate
• 外观: Brown Oil