2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 197886
• Molecular Formular: C20H17NO4
• Molecular Mass: 335.35328
• Monoisotopic Mass: 335.11575803
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCC=C)cc2)c1ccccc1
• Canonical SMILES: C=CCNC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C20H17NO4/c1-2-10-21-19(22)13-24-15-8-9-16-17(14-6-4-3-5-7-14)12-20(23)25-18(16)11-15/h2-9,11-12H,1,10,13H2,(H,21,22)
• InChIKey: MWMJPRSMQMGBGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide

Database IDs

• PubChem SID: 164253796
• PubChem CID: 1801845

CALCULATED PROPERTIES

• Acid pKa: 14.369991
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6848536
• LogD (pH = 7.4): 2.6848536
• Log P: 2.6848536
• Molar Refractivity: 103.5307 cm^3
• Polarizability: 36.13138 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds