N-(5-amino-2-methoxyphenyl)pentanamide

• ChemBase ID: 311962
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: c1(NC(=O)CCCC)cc(N)ccc1OC
• Canonical SMILES: CCCCC(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C12H18N2O2/c1-3-4-5-12(15)14-10-8-9(13)6-7-11(10)16-2/h6-8H,3-5,13H2,1-2H3,(H,14,15)
• InChIKey: WXIJCMMIBKRMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)pentanamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)pentanamide
• Synonyms: N-(5-amino-2-methoxyphenyl)pentanamide

Database IDs

• CAS Number: 901581-42-8
• MDL Number: MFCD03369545

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7414268
• LogD (pH = 7.4): 1.8130333
• Log P: 1.8140322
• Molar Refractivity: 65.9135 cm^3
• Polarizability: 24.390163 Å^3
• Polar Surface Area: 64.35 Å^2