N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 211072
• Molecular Formular: C23H26N2O5
• Molecular Mass: 410.46294
• Monoisotopic Mass: 410.18417194
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)NCCCN1C(=O)CCC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)NCCCN1CCCC1=O
• InChI: InChI=1S/C23H26N2O5/c1-13-15(3)29-19-12-20-17(10-16(13)19)14(2)18(23(28)30-20)11-21(26)24-7-5-9-25-8-4-6-22(25)27/h10,12H,4-9,11H2,1-3H3,(H,24,26)
• InChIKey: IUUGKGGAEILHOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164266982
• PubChem CID: 4837491

CALCULATED PROPERTIES

• Acid pKa: 14.722523
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4239722
• LogD (pH = 7.4): 1.4239727
• Log P: 1.4239727
• Molar Refractivity: 112.256 cm^3
• Polarizability: 43.711998 Å^3
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds