2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[4-(propan-2-yl)phenyl]acetamide

• ChemBase ID: 219228
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1ccc(cc1)C(C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C24H23NO4/c1-13(2)16-5-7-17(8-6-16)25-23(26)10-20-15(4)19-9-18-14(3)12-28-21(18)11-22(19)29-24(20)27/h5-9,11-13H,10H2,1-4H3,(H,25,26)
• InChIKey: JWNCVROHAOXHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[4-(propan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(4-isopropylphenyl)acetamide

Database IDs

• PubChem SID: 164275138
• PubChem CID: 16409142

CALCULATED PROPERTIES

• Acid pKa: 10.946279
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.954486
• LogD (pH = 7.4): 4.9543643
• Log P: 4.9544873
• Molar Refractivity: 112.8045 cm^3
• Polarizability: 43.60206 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