2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

• ChemBase ID: 211127
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCCN1C(=O)CCC1)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCCCN1CCCC1=O
• InChI: InChI=1S/C24H24N2O5/c27-22(25-11-5-13-26-12-4-8-23(26)28)16-30-18-9-10-19-20(17-6-2-1-3-7-17)15-24(29)31-21(19)14-18/h1-3,6-7,9-10,14-15H,4-5,8,11-13,16H2,(H,25,27)
• InChIKey: PDLVYPDGWKQORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

Database IDs

• PubChem SID: 164267037
• PubChem CID: 4837633

CALCULATED PROPERTIES

• Acid pKa: 14.629881
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4861048
• LogD (pH = 7.4): 1.4861052
• Log P: 1.4861052
• Molar Refractivity: 124.419 cm^3
• Polarizability: 44.234406 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds