2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 198439
• Molecular Formular: C19H17NO6
• Molecular Mass: 355.34138
• Monoisotopic Mass: 355.10558727
• SMILES: c1(c(=O)c2c(oc1)cc(OCC(=O)N)cc2)Oc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCC(=O)N
• InChI: InChI=1S/C19H17NO6/c1-2-23-14-5-3-4-6-15(14)26-17-10-25-16-9-12(24-11-18(20)21)7-8-13(16)19(17)22/h3-10H,2,11H2,1H3,(H2,20,21)
• InChIKey: OEPBQOOQQCJYOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164254349
• PubChem CID: 1522990

CALCULATED PROPERTIES

• Acid pKa: 14.624164
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.9390148
• LogD (pH = 7.4): 1.9390149
• Log P: 1.9390148
• Molar Refractivity: 93.0972 cm^3
• Polarizability: 35.84526 Å^3
• Polar Surface Area: 97.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds