4,6-dimethyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-oxo-2H-pyran-5-carboxamide

• ChemBase ID: 190405
• Molecular Formular: C18H15NO5
• Molecular Mass: 325.3154
• Monoisotopic Mass: 325.09502259
• SMILES: c1(C(=O)Nc2cc3oc(=O)cc(c3cc2)C)c(oc(=O)cc1C)C
• Canonical SMILES: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C18H15NO5/c1-9-6-16(21)24-14-8-12(4-5-13(9)14)19-18(22)17-10(2)7-15(20)23-11(17)3/h4-8H,1-3H3,(H,19,22)
• InChIKey: GBRDSZZUPVUIIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-oxo-2H-pyran-5-carboxamide
• IUPAC Traditional name: 2,4-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-6-oxopyran-3-carboxamide

Database IDs

• PubChem SID: 164246315
• PubChem CID: 905083

CALCULATED PROPERTIES

• Acid pKa: 13.305759
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1703205
• LogD (pH = 7.4): 2.17032
• Log P: 2.1703207
• Molar Refractivity: 90.2457 cm^3
• Polarizability: 33.050545 Å^3
• Polar Surface Area: 81.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds