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

• ChemBase编号: 190665
• 分子式: C30H38N2O3
• 平均质量: 474.63432
• 单一同位素质量: 474.28824309
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C30H38N2O3/c1-22(2)35-27-17-13-25(14-18-27)28(29-9-7-8-10-30(29)34-6)19-20-32(23(3)33)21-24-11-15-26(16-12-24)31(4)5/h7-18,22,28H,19-21H2,1-6H3
• InChIKey: CDNZCIOMBUXMMX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164246575
• PubChem CID: 2964477

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4979615
• LogD (pH = 7.4): 5.584918
• Log P: 5.5861473
• 摩尔折射率: 144.0065 cm^3
• 极化性: 55.33455 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 11
• 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