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

• ChemBase ID: 213144
• Molecular Formular: C16H17NO4
• Molecular Mass: 287.31048
• Monoisotopic Mass: 287.11575803
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NC1CC1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NC1CC1
• InChI: InChI=1S/C16H17NO4/c1-9-12-6-5-11(20-2)7-14(12)21-16(19)13(9)8-15(18)17-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,17,18)
• InChIKey: PIJLSEFUJWPMRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164269054
• PubChem CID: 4966675

CALCULATED PROPERTIES

• Acid pKa: 14.5595665
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3272583
• LogD (pH = 7.4): 1.3272583
• Log P: 1.3272583
• Molar Refractivity: 76.8474 cm^3
• Polarizability: 29.763613 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds