3-(cyclopentyloxy)-4-methoxybenzamide

• ChemBase ID: 82935
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: O(c1c(ccc(c1)C(=O)N)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1OC1CCCC1)C(=O)N
• InChI: InChI=1S/C13H17NO3/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,14,15)
• InChIKey: UOYVPADOZOGKLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)-4-methoxybenzamide
• IUPAC Traditional name: 3-(cyclopentyloxy)-4-methoxybenzamide
• Synonyms: 3-(cyclopentyloxy)-4-methoxybenzamide

Database IDs

• CAS Number: 158429-58-4
• MDL Number: MFCD00275567
• PubChem SID: 162070054
• PubChem CID: 2779330

CALCULATED PROPERTIES

• Acid pKa: 14.253145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8632454
• LogD (pH = 7.4): 1.8632455
• Log P: 1.8632455
• Molar Refractivity: 64.476 cm^3
• Polarizability: 24.844786 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true