3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase ID: 218410
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CCC(=O)N(CCc1ncccc1)C
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C22H24N2O4/c1-15-18-8-7-17(27-3)14-20(18)28-22(26)19(15)9-10-21(25)24(2)13-11-16-6-4-5-12-23-16/h4-8,12,14H,9-11,13H2,1-3H3
• InChIKey: OTEGXXKQQHXLTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274320
• PubChem CID: 16408378

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3112497
• LogD (pH = 7.4): 2.3546393
• Log P: 2.355224
• Molar Refractivity: 105.7668 cm^3
• Polarizability: 41.010544 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds