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

• ChemBase ID: 307742
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(c1c(cc(N)cc1)C)C(=O)CCCC
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1C)N
• InChI: InChI=1S/C12H18N2O/c1-3-4-5-12(15)14-11-7-6-10(13)8-9(11)2/h6-8H,3-5,13H2,1-2H3,(H,14,15)
• InChIKey: RBCBTOHJZMPVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 767991-64-0
• MDL Number: MFCD03906871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4614832
• LogD (pH = 7.4): 2.484819
• Log P: 2.4851248
• Molar Refractivity: 64.4915 cm^3
• Polarizability: 23.63708 Å^3
• Polar Surface Area: 55.12 Å^2