N-(3-methoxyphenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 217247
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1cc(OC)ccc1)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COc1cccc(c1)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C24H23NO5/c1-12-15(4)29-22-14(3)23-19(10-18(12)22)13(2)20(24(27)30-23)11-21(26)25-16-7-6-8-17(9-16)28-5/h6-10H,11H2,1-5H3,(H,25,26)
• InChIKey: WUFTXFWSJLYZKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164273157
• PubChem CID: 4869512

CALCULATED PROPERTIES

• Acid pKa: 10.937808
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.264788
• LogD (pH = 7.4): 4.264664
• Log P: 4.2647896
• Molar Refractivity: 115.2678 cm^3
• Polarizability: 44.196827 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds