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

• ChemBase ID: 213341
• Molecular Formular: C20H21NO4
• Molecular Mass: 339.38504
• Monoisotopic Mass: 339.14705816
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC1)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NC1CC1
• InChI: InChI=1S/C20H21NO4/c1-9-12(4)24-18-11(3)19-15(7-14(9)18)10(2)16(20(23)25-19)8-17(22)21-13-5-6-13/h7,13H,5-6,8H2,1-4H3,(H,21,22)
• InChIKey: ZJVNBNJVZYTXNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164269251
• PubChem CID: 4967090

CALCULATED PROPERTIES

• Acid pKa: 14.646231
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.870457
• LogD (pH = 7.4): 2.8704572
• Log P: 2.8704572
• Molar Refractivity: 94.4574 cm^3
• Polarizability: 36.892616 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