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

• ChemBase编号: 191021
• 分子式: C31H40N2O3
• 平均质量: 488.6609
• 单一同位素质量: 488.30389315
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C31H40N2O3/c1-7-31(34)33(22-24-12-16-26(17-13-24)32(4)5)21-20-28(29-10-8-9-11-30(29)35-6)25-14-18-27(19-15-25)36-23(2)3/h8-19,23,28H,7,20-22H2,1-6H3
• InChIKey: AKFILMQBRLZLEO-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]propanamide
• IUPAC传统名: N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]propanamide

登记号

• PubChem SID: 164246931
• PubChem CID: 3727345

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.1984973
• LogD (pH = 7.4): 6.285454
• Log P: 6.286683
• 摩尔折射率: 148.6334 cm^3
• 极化性: 57.179707 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 12
• 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