3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase编号: 218410
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CCC(=O)N(CCc1ncccc1)C
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C22H24N2O4/c1-15-18-8-7-17(27-3)14-20(18)28-22(26)19(15)9-10-21(25)24(2)13-11-16-6-4-5-12-23-16/h4-8,12,14H,9-11,13H2,1-3H3
• InChIKey: OTEGXXKQQHXLTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
• IUPAC传统名: 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

登记号

• PubChem SID: 164274320
• PubChem CID: 16408378

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.3112497
• LogD (pH = 7.4): 2.3546393
• Log P: 2.355224
• 摩尔折射率: 105.7668 cm^3
• 极化性: 41.010544 Å^3
• 极化表面积: 68.73 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds