N-(propan-2-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214040
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NC(C)C)C)C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)C
• InChI: InChI=1S/C19H21NO4/c1-9(2)20-15(21)7-13-12(5)17-14(24-19(13)22)6-10(3)16-11(4)8-23-18(16)17/h6,8-9H,7H2,1-5H3,(H,20,21)
• InChIKey: BQCMGNLZBGTQSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-isopropyl-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164269950
• PubChem CID: 4869342

CALCULATED PROPERTIES

• Acid pKa: 14.646049
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9787142
• LogD (pH = 7.4): 2.9787142
• Log P: 2.9787142
• Molar Refractivity: 91.2639 cm^3
• Polarizability: 35.858067 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds