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

• ChemBase ID: 184573
• Molecular Formular: C12H11NO4
• Molecular Mass: 233.22004
• Monoisotopic Mass: 233.06880784
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)N)C
• Canonical SMILES: NC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C12H11NO4/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H2,13,14)
• InChIKey: AEWOYKCXTNXLNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240483
• PubChem CID: 763602

CALCULATED PROPERTIES

• Acid pKa: 15.029194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59612364
• LogD (pH = 7.4): 0.59612364
• Log P: 0.59612364
• Molar Refractivity: 60.2006 cm^3
• Polarizability: 23.14726 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