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

• ChemBase ID: 214323
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCc1ccccc1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NCc1ccccc1
• InChI: InChI=1S/C24H23NO4/c1-13-10-19-22(23-21(13)14(2)16(4)28-23)15(3)18(24(27)29-19)11-20(26)25-12-17-8-6-5-7-9-17/h5-10H,11-12H2,1-4H3,(H,25,26)
• InChIKey: VNNAVWZJNJJULS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270233
• PubChem CID: 4869837

CALCULATED PROPERTIES

• Acid pKa: 14.631923
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1293654
• LogD (pH = 7.4): 4.1293654
• Log P: 4.1293654
• Molar Refractivity: 111.8588 cm^3
• Polarizability: 43.535774 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