N-(2-amino-4-methylphenyl)cyclopentanecarboxamide

• ChemBase ID: 308020
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(Nc1c(cc(cc1)C)N)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)Nc1ccc(cc1N)C
• InChI: InChI=1S/C13H18N2O/c1-9-6-7-12(11(14)8-9)15-13(16)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3,(H,15,16)
• InChIKey: AOUYVPCKYLWCHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methylphenyl)cyclopentanecarboxamide
• IUPAC Traditional name: N-(2-amino-4-methylphenyl)cyclopentanecarboxamide
• Synonyms: N-(2-amino-4-methylphenyl)cyclopentanecarboxamide

Database IDs

• CAS Number: 946753-31-7
• MDL Number: MFCD10686553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5583937
• LogD (pH = 7.4): 2.5643091
• Log P: 2.5643852
• Molar Refractivity: 67.2638 cm^3
• Polarizability: 24.749601 Å^3
• Polar Surface Area: 55.12 Å^2