N-(4-aminophenyl)pentanamide

• ChemBase ID: 307741
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(Nc1ccc(N)cc1)CCCC
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)N
• InChI: InChI=1S/C11H16N2O/c1-2-3-4-11(14)13-10-7-5-9(12)6-8-10/h5-8H,2-4,12H2,1H3,(H,13,14)
• InChIKey: CUCUTWCDVINHQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)pentanamide
• IUPAC Traditional name: N-(4-aminophenyl)pentanamide
• Synonyms: N-(4-aminophenyl)pentanamide

Database IDs

• CAS Number: 59690-87-8
• MDL Number: MFCD03864427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9575944
• LogD (pH = 7.4): 1.9715229
• Log P: 1.9717034
• Molar Refractivity: 59.4503 cm^3
• Polarizability: 21.871174 Å^3
• Polar Surface Area: 55.12 Å^2