3-amino-N-cyclopentyl-4-methoxybenzamide

• ChemBase ID: 123611
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(c1cc(c(cc1)OC)N)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1N)C(=O)NC1CCCC1
• InChI: InChI=1S/C13H18N2O2/c1-17-12-7-6-9(8-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3,(H,15,16)
• InChIKey: PCLYCIWMEBRKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-cyclopentyl-4-methoxybenzamide
• IUPAC Traditional name: 3-amino-N-cyclopentyl-4-methoxybenzamide
• Synonyms: 3-amino-N-cyclopentyl-4-methoxybenzamide

Database IDs

• PubChem SID: 162217964
• PubChem CID: 16770716

CALCULATED PROPERTIES

• Log P: 1.4156668
• Molar Refractivity: 67.6099 cm^3
• Polarizability: 25.300396 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.305148
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4130601
• LogD (pH = 7.4): 1.4156339