2-{[3-(carbamoylmethoxy)-6-oxo-6H-benzo[c]chromen-1-yl]oxy}acetamide

• ChemBase ID: 184117
• Molecular Formular: C17H14N2O6
• Molecular Mass: 342.30286
• Monoisotopic Mass: 342.08518618
• SMILES: c12c3c(c(=O)oc1cc(cc2OCC(=O)N)OCC(=O)N)cccc3
• Canonical SMILES: NC(=O)COc1cc(OCC(=O)N)cc2c1c1ccccc1c(=O)o2
• InChI: InChI=1S/C17H14N2O6/c18-14(20)7-23-9-5-12(24-8-15(19)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h1-6H,7-8H2,(H2,18,20)(H2,19,21)
• InChIKey: OUSICZQBEHAVMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(carbamoylmethoxy)-6-oxo-6H-benzo[c]chromen-1-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[3-(carbamoylmethoxy)-6-oxobenzo[c]chromen-1-yl]oxy}acetamide

Database IDs

• PubChem SID: 164240027
• PubChem CID: 726147

CALCULATED PROPERTIES

• Polarizability: 34.28535 Å^3
• Polar Surface Area: 130.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.526948
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.0479337
• LogD (pH = 7.4): -0.04793367
• Log P: -0.0479337
• Molar Refractivity: 85.6791 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds