N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214236
• Molecular Formular: C24H28N2O5
• Molecular Mass: 424.48952
• Monoisotopic Mass: 424.19982201
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCCCN1C(=O)CCC1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NCCCN1CCCC1=O
• InChI: InChI=1S/C24H28N2O5/c1-13-11-18-22(23-21(13)14(2)16(4)30-23)15(3)17(24(29)31-18)12-19(27)25-8-6-10-26-9-5-7-20(26)28/h11H,5-10,12H2,1-4H3,(H,25,27)
• InChIKey: HQJXKRZUFONNQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270146
• PubChem CID: 4869697

CALCULATED PROPERTIES

• Acid pKa: 14.702127
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9373937
• LogD (pH = 7.4): 1.9373941
• Log P: 1.9373941
• Molar Refractivity: 117.2972 cm^3
• Polarizability: 45.476494 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