N-benzyl-2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-methylacetamide

• ChemBase ID: 217128
• Molecular Formular: C23H21NO4
• Molecular Mass: 375.41714
• Monoisotopic Mass: 375.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)N(Cc1ccccc1)C
• Canonical SMILES: O=C(N(Cc1ccccc1)C)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C23H21NO4/c1-14-13-27-20-11-21-18(9-17(14)20)15(2)19(23(26)28-21)10-22(25)24(3)12-16-7-5-4-6-8-16/h4-9,11,13H,10,12H2,1-3H3
• InChIKey: BLAYOASSWQNXAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-methylacetamide
• IUPAC Traditional name: N-benzyl-2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-methylacetamide

Database IDs

• PubChem SID: 164273038
• PubChem CID: 8016531

CALCULATED PROPERTIES

• Acid pKa: 14.726848
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.640059
• LogD (pH = 7.4): 3.640059
• Log P: 3.640059
• Molar Refractivity: 106.5646 cm^3
• Polarizability: 41.847538 Å^3
• Polar Surface Area: 59.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds