N-cyclopentyl-2-(4-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 279953
• Molecular Formular: C15H19NO4
• Molecular Mass: 277.31566
• Monoisotopic Mass: 277.13140809
• SMILES: C(=O)(NC1CCCC1)COc1c(cc(C=O)cc1)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)NC1CCCC1
• InChI: InChI=1S/C15H19NO4/c1-19-14-8-11(9-17)6-7-13(14)20-10-15(18)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,18)
• InChIKey: FPZHKJDAYAZBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(4-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-(4-formyl-2-methoxyphenoxy)acetamide
• Synonyms: N-cyclopentyl-2-(4-formyl-2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD08445117
• PubChem SID: 164335863
• PubChem CID: 7894140

CALCULATED PROPERTIES

• Log P: 1.6198243
• Molar Refractivity: 74.7851 cm^3
• Polarizability: 28.811823 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.596898
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6198243
• LogD (pH = 7.4): 1.6198243

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.683

Product Information

• Purity: 95%