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

• ChemBase编号: 191254
• 分子式: C28H33NO3
• 平均质量: 431.56652
• 单一同位素质量: 431.24604392
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C28H33NO3/c1-21(2)32-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-29(22(3)30)20-23-10-14-26(31-4)15-11-23/h5-17,21,28H,18-20H2,1-4H3
• InChIKey: NSUAISKJGHSCEF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164247164
• PubChem CID: 3708634

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.478103
• LogD (pH = 7.4): 5.4781036
• Log P: 5.4781036
• 摩尔折射率: 129.5779 cm^3
• 极化性: 50.51831 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