N-benzyl-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214509
• Molecular Formular: C23H21NO4
• Molecular Mass: 375.41714
• Monoisotopic Mass: 375.14705816
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NCc1ccccc1)C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)NCc1ccccc1
• InChI: InChI=1S/C23H21NO4/c1-13-9-18-21(22-20(13)14(2)12-27-22)15(3)17(23(26)28-18)10-19(25)24-11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H,24,25)
• InChIKey: KYASSUFZHHMOST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-benzyl-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270419
• PubChem CID: 4967719

CALCULATED PROPERTIES

• Acid pKa: 14.6153
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9298043
• LogD (pH = 7.4): 3.9298043
• Log P: 3.9298043
• Molar Refractivity: 106.7091 cm^3
• Polarizability: 41.771595 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