N-[(4-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide

• ChemBase编号: 190813
• 分子式: C29H35NO3
• 平均质量: 445.5931
• 单一同位素质量: 445.26169399
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C29H35NO3/c1-21(2)33-28-16-12-26(13-17-28)29(25-10-6-22(3)7-11-25)18-19-30(23(4)31)20-24-8-14-27(32-5)15-9-24/h6-17,21,29H,18-20H2,1-5H3
• InChIKey: NHUADAMKWCCPMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide
• IUPAC传统名: N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164246723
• PubChem CID: 4593653

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.991524
• LogD (pH = 7.4): 5.9915247
• Log P: 5.9915247
• 摩尔折射率: 134.6191 cm^3
• 极化性: 52.284336 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds