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

• ChemBase ID: 223543
• Molecular Formular: C20H23NO5
• Molecular Mass: 357.40032
• Monoisotopic Mass: 357.15762284
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCOC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C20H23NO5/c1-10-13(4)25-18-12(3)19-15(8-14(10)18)11(2)16(20(23)26-19)9-17(22)21-6-7-24-5/h8H,6-7,9H2,1-5H3,(H,21,22)
• InChIKey: IAPLFJVFUWADAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279453
• PubChem CID: 49652306

CALCULATED PROPERTIES

• Acid pKa: 14.671398
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.357917
• LogD (pH = 7.4): 2.357917
• Log P: 2.357917
• Molar Refractivity: 98.2897 cm^3
• Polarizability: 38.31884 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds