2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-pentylacetamide

• ChemBase ID: 196319
• Molecular Formular: C22H23NO4
• Molecular Mass: 365.42232
• Monoisotopic Mass: 365.16270822
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCCCC)cc2)c1ccccc1
• Canonical SMILES: CCCCCNC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C22H23NO4/c1-2-3-7-12-23-21(24)15-26-17-10-11-18-19(16-8-5-4-6-9-16)14-22(25)27-20(18)13-17/h4-6,8-11,13-14H,2-3,7,12,15H2,1H3,(H,23,24)
• InChIKey: FGTWABTVKPWDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252229
• PubChem CID: 1800589

CALCULATED PROPERTIES

• Acid pKa: 14.702714
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7220714
• LogD (pH = 7.4): 3.7220714
• Log P: 3.7220714
• Molar Refractivity: 112.8426 cm^3
• Polarizability: 40.055637 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds