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

• ChemBase ID: 196841
• Molecular Formular: C17H19NO4
• Molecular Mass: 301.33706
• Monoisotopic Mass: 301.13140809
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NC1CCCC1)C
• Canonical SMILES: O=C(NC1CCCC1)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C17H19NO4/c1-11-8-17(20)22-15-9-13(6-7-14(11)15)21-10-16(19)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,19)
• InChIKey: XTOJWOBUZUCTGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252751
• PubChem CID: 907403

CALCULATED PROPERTIES

• Acid pKa: 14.668291
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1745017
• LogD (pH = 7.4): 2.1745017
• Log P: 2.1745017
• Molar Refractivity: 81.5105 cm^3
• Polarizability: 31.599506 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