N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 220340
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)O)CC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)ccc(c3)O)cc(c1)OC
• InChI: InChI=1S/C20H19NO6/c1-11-16-5-4-13(22)8-18(16)27-20(24)17(11)10-19(23)21-12-6-14(25-2)9-15(7-12)26-3/h4-9,22H,10H2,1-3H3,(H,21,23)
• InChIKey: SLFREUSDKDPDKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164276250
• PubChem CID: 6226437

CALCULATED PROPERTIES

• Acid pKa: 7.766507
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.4156957
• LogD (pH = 7.4): 2.2638245
• Log P: 2.4180257
• Molar Refractivity: 99.6387 cm^3
• Polarizability: 37.68771 Å^3
• Polar Surface Area: 94.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds