N-(propan-2-yl)-2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 214049
• Molecular Formular: C25H25NO4
• Molecular Mass: 403.4703
• Monoisotopic Mass: 403.17835829
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC(C)C)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)C
• InChI: InChI=1S/C25H25NO4/c1-13(2)26-21(27)12-19-14(3)18-11-20-22(17-9-7-6-8-10-17)16(5)29-24(20)15(4)23(18)30-25(19)28/h6-11,13H,12H2,1-5H3,(H,26,27)
• InChIKey: IQWIGNVOJMOHHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-isopropyl-2-{2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164269959
• PubChem CID: 4869370

CALCULATED PROPERTIES

• Acid pKa: 14.706881
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3120794
• LogD (pH = 7.4): 4.3120794
• Log P: 4.3120794
• Molar Refractivity: 116.5086 cm^3
• Polarizability: 46.842804 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds