N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide

• ChemBase ID: 212147
• Molecular Formular: C17H19NO4
• Molecular Mass: 301.33706
• Monoisotopic Mass: 301.13140809
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CCC(=O)NC1CC1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)NC1CC1
• InChI: InChI=1S/C17H19NO4/c1-10-13-6-5-12(21-2)9-15(13)22-17(20)14(10)7-8-16(19)18-11-3-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,19)
• InChIKey: WAXVGUHXLGWVHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

Database IDs

• PubChem SID: 164268057
• PubChem CID: 4964273

CALCULATED PROPERTIES

• Acid pKa: 15.012256
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7718263
• LogD (pH = 7.4): 1.771827
• Log P: 1.771827
• Molar Refractivity: 81.4484 cm^3
• Polarizability: 31.59978 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds