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

• ChemBase ID: 279963
• Molecular Formular: C15H19NO4
• Molecular Mass: 277.31566
• Monoisotopic Mass: 277.13140809
• SMILES: c1(c(OCC(=O)NC2CCCC2)ccc(c1)OC)C=O
• Canonical SMILES: O=Cc1cc(OC)ccc1OCC(=O)NC1CCCC1
• InChI: InChI=1S/C15H19NO4/c1-19-13-6-7-14(11(8-13)9-17)20-10-15(18)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,18)
• InChIKey: KXOLISPRLSWHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08445127
• PubChem SID: 164335873
• PubChem CID: 8634110

CALCULATED PROPERTIES

• Acid pKa: 14.597994
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6198243
• LogD (pH = 7.4): 1.6198243
• Log P: 1.6198243
• Molar Refractivity: 74.7851 cm^3
• Polarizability: 28.811937 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.033

Product Information

• Purity: 95%