2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 187427
• Molecular Formular: C14H15NO4
• Molecular Mass: 261.2732
• Monoisotopic Mass: 261.10010797
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)N)C)C
• Canonical SMILES: NC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C14H15NO4/c1-7-8(2)14(17)19-13-9(3)11(5-4-10(7)13)18-6-12(15)16/h4-5H,6H2,1-3H3,(H2,15,16)
• InChIKey: ZMYUHTUYLKGOQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: 2-[(3,4,8-trimethyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164243337
• PubChem CID: 744837

CALCULATED PROPERTIES

• Acid pKa: 15.091694
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5050955
• LogD (pH = 7.4): 1.5050955
• Log P: 1.5050955
• Molar Refractivity: 69.5989 cm^3
• Polarizability: 26.739796 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds