2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide

• ChemBase ID: 218526
• Molecular Formular: C19H19NO6
• Molecular Mass: 357.35726
• Monoisotopic Mass: 357.12123733
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)O)O)CC(=O)NCCCc1occc1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)NCCCc1ccco1
• InChI: InChI=1S/C19H19NO6/c1-11-14(10-17(23)20-6-2-4-13-5-3-7-25-13)19(24)26-16-9-12(21)8-15(22)18(11)16/h3,5,7-9,21-22H,2,4,6,10H2,1H3,(H,20,23)
• InChIKey: LOGLQRPXNFTWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide

Database IDs

• PubChem SID: 164274436
• PubChem CID: 16408486

CALCULATED PROPERTIES

• Acid pKa: 7.3986845
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.7688612
• LogD (pH = 7.4): 1.4661343
• Log P: 1.7742766
• Molar Refractivity: 93.6483 cm^3
• Polarizability: 35.687725 Å^3
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds