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

• ChemBase ID: 219208
• Molecular Formular: C25H27NO5
• Molecular Mass: 421.48558
• Monoisotopic Mass: 421.18892297
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NC(CCc1occc1)C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)CCc1ccco1
• InChI: InChI=1S/C25H27NO5/c1-13-11-20-23(24-22(13)15(3)17(5)30-24)16(4)19(25(28)31-20)12-21(27)26-14(2)8-9-18-7-6-10-29-18/h6-7,10-11,14H,8-9,12H2,1-5H3,(H,26,27)
• InChIKey: UVNIMTQEQAFQGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275118
• PubChem CID: 16409123

CALCULATED PROPERTIES

• Acid pKa: 14.581161
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.18351
• LogD (pH = 7.4): 4.18351
• Log P: 4.18351
• Molar Refractivity: 118.1785 cm^3
• Polarizability: 45.921505 Å^3
• Polar Surface Area: 81.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds