2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-propylacetamide

• ChemBase ID: 198289
• Molecular Formular: C15H17NO4
• Molecular Mass: 275.29978
• Monoisotopic Mass: 275.11575803
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCCC)C
• Canonical SMILES: CCCNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C15H17NO4/c1-3-6-16-14(17)9-19-11-4-5-12-10(2)7-15(18)20-13(12)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17)
• InChIKey: GLXSIKPSZVSQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-propylacetamide
• IUPAC Traditional name: 2-[(4-methyl-2-oxochromen-7-yl)oxy]-N-propylacetamide

Database IDs

• PubChem SID: 164254199
• PubChem CID: 1802029

CALCULATED PROPERTIES

• Acid pKa: 14.746694
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.69913
• LogD (pH = 7.4): 1.69913
• Log P: 1.69913
• Molar Refractivity: 74.3699 cm^3
• Polarizability: 28.647924 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds