N-cyclopropyl-2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 211499
• Molecular Formular: C17H19NO5
• Molecular Mass: 317.33646
• Monoisotopic Mass: 317.12632271
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NC1CC1)C
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)NC1CC1
• InChI: InChI=1S/C17H19NO5/c1-9-12(8-15(19)18-10-4-5-10)17(20)23-14-7-11(21-2)6-13(22-3)16(9)14/h6-7,10H,4-5,8H2,1-3H3,(H,18,19)
• InChIKey: RLHCEKYKINMNHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164267409
• PubChem CID: 4838476

CALCULATED PROPERTIES

• Acid pKa: 14.461477
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.169587
• LogD (pH = 7.4): 1.169587
• Log P: 1.169587
• Molar Refractivity: 83.3106 cm^3
• Polarizability: 32.30464 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds