N-(3-butoxypropyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196241
• Molecular Formular: C19H25NO5
• Molecular Mass: 347.4055
• Monoisotopic Mass: 347.17327291
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCCCOCCCC)C
• Canonical SMILES: CCCCOCCCNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H25NO5/c1-3-4-9-23-10-5-8-20-18(21)13-24-15-6-7-16-14(2)11-19(22)25-17(16)12-15/h6-7,11-12H,3-5,8-10,13H2,1-2H3,(H,20,21)
• InChIKey: OBACKWNVSKIZNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-butoxypropyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(3-butoxypropyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252151
• PubChem CID: 1800394

CALCULATED PROPERTIES

• Acid pKa: 14.9221325
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.156683
• LogD (pH = 7.4): 2.156683
• Log P: 2.156683
• Molar Refractivity: 94.8798 cm^3
• Polarizability: 36.707268 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds