2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[(2R)-2-hydroxypropyl]acetamide

• ChemBase ID: 218914
• Molecular Formular: C17H21NO6
• Molecular Mass: 335.35174
• Monoisotopic Mass: 335.1368874
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NC[C@H](O)C)C
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)NC[C@H](O)C
• InChI: InChI=1S/C17H21NO6/c1-9(19)8-18-15(20)7-12-10(2)16-13(23-4)5-11(22-3)6-14(16)24-17(12)21/h5-6,9,19H,7-8H2,1-4H3,(H,18,20)
• InChIKey: JHGCCVUQWBEHQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[(2R)-2-hydroxypropyl]acetamide
• IUPAC Traditional name: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-2-hydroxypropyl]acetamide

Database IDs

• PubChem SID: 164274824
• PubChem CID: 16408854

CALCULATED PROPERTIES

• Acid pKa: 14.427402
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.4304955
• LogD (pH = 7.4): 0.4304955
• Log P: 0.43049553
• Molar Refractivity: 86.8105 cm^3
• Polarizability: 33.678047 Å^3
• Polar Surface Area: 94.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds