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

• ChemBase ID: 212031
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC(C)C)C)cc1c(c2C)occ1C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)C
• InChI: InChI=1S/C19H21NO4/c1-9(2)20-16(21)7-15-11(4)14-6-13-10(3)8-23-17(13)12(5)18(14)24-19(15)22/h6,8-9H,7H2,1-5H3,(H,20,21)
• InChIKey: NTTLUJXRFGOUEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164267941
• PubChem CID: 4839643

CALCULATED PROPERTIES

• Acid pKa: 14.715342
• 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: 35.857487 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