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

• ChemBase ID: 196698
• Molecular Formular: C18H21NO4
• Molecular Mass: 315.36364
• Monoisotopic Mass: 315.14705816
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NC1CCCCC1)C
• Canonical SMILES: O=C(NC1CCCCC1)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C18H21NO4/c1-12-9-18(21)23-16-10-14(7-8-15(12)16)22-11-17(20)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
• InChIKey: CQVHUPDLLMJIQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252608
• PubChem CID: 721293

CALCULATED PROPERTIES

• Acid pKa: 14.735569
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6190703
• LogD (pH = 7.4): 2.6190703
• Log P: 2.6190703
• Molar Refractivity: 86.1115 cm^3
• Polarizability: 33.436623 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