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

• ChemBase ID: 223226
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)C
• InChI: InChI=1S/C19H21NO4/c1-9(2)20-18(21)7-15-11(4)14-6-13-10(3)12(5)23-16(13)8-17(14)24-19(15)22/h6,8-9H,7H2,1-5H3,(H,20,21)
• InChIKey: VLQKSELWQCQZHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279136
• PubChem CID: 49652071

CALCULATED PROPERTIES

• Acid pKa: 14.657361
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.664854
• LogD (pH = 7.4): 2.664854
• Log P: 2.664854
• Molar Refractivity: 91.3724 cm^3
• Polarizability: 35.85483 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