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

• ChemBase ID: 120540
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N(c1c(cc(N)cc1)OC)C(=O)CCCC
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1OC)N
• InChI: InChI=1S/C12H18N2O2/c1-3-4-5-12(15)14-10-7-6-9(13)8-11(10)16-2/h6-8H,3-5,13H2,1-2H3,(H,14,15)
• InChIKey: HCZOTSLSKOFUMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162214893
• PubChem CID: 1988730

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8074864
• LogD (pH = 7.4): 1.8139486
• Log P: 1.8140322
• Molar Refractivity: 65.9135 cm^3
• Polarizability: 24.390364 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.388552