N-[3-(dimethylamino)propyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 213195
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCCN(C)C)cc2)c1ccccc1
• Canonical SMILES: CN(CCCNC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
• InChI: InChI=1S/C22H24N2O4/c1-24(2)12-6-11-23-21(25)15-27-17-9-10-18-19(16-7-4-3-5-8-16)14-22(26)28-20(18)13-17/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,23,25)
• InChIKey: LTPCSBXTNGSSIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164269105
• PubChem CID: 4966785

CALCULATED PROPERTIES

• Acid pKa: 14.728549
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2916442
• LogD (pH = 7.4): 0.13955492
• Log P: 2.032208
• Molar Refractivity: 117.2525 cm^3
• Polarizability: 41.582882 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds