N-(5-amino-2-methoxyphenyl)-2-(pentyloxy)benzamide

• ChemBase ID: 22881
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(c1c(OCCCCC)cccc1)Nc1cc(N)ccc1OC
• Canonical SMILES: CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C19H24N2O3/c1-3-4-7-12-24-17-9-6-5-8-15(17)19(22)21-16-13-14(20)10-11-18(16)23-2/h5-6,8-11,13H,3-4,7,12,20H2,1-2H3,(H,21,22)
• InChIKey: PQNXZLVDNHWBCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(pentyloxy)benzamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(pentyloxy)benzamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-(pentyloxy)benzamide

Database IDs

• MDL Number: MFCD09997204
• PubChem SID: 160986188
• PubChem CID: 28306453

CALCULATED PROPERTIES

• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 11.632025
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.6431997
• LogD (pH = 7.4): 3.6886897
• Log P: 3.6893299
• Molar Refractivity: 97.6929 cm^3
• Polarizability: 36.478386 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false