4-methoxy-N-{6-[(4-methoxyphenyl)formamido]hexyl}benzamide

• ChemBase ID: 181312
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: C(=O)(c1ccc(cc1)OC)NCCCCCCNC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)NCCCCCCNC(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C22H28N2O4/c1-27-19-11-7-17(8-12-19)21(25)23-15-5-3-4-6-16-24-22(26)18-9-13-20(28-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3,(H,23,25)(H,24,26)
• InChIKey: QZJPLGORLKLJNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-{6-[(4-methoxyphenyl)formamido]hexyl}benzamide
• IUPAC Traditional name: 4-methoxy-N-{6-[(4-methoxyphenyl)formamido]hexyl}benzamide

Database IDs

• PubChem SID: 164237222
• PubChem CID: 3736759

CALCULATED PROPERTIES

• Acid pKa: 14.777103
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0747156
• LogD (pH = 7.4): 3.0747166
• Log P: 3.0747166
• Molar Refractivity: 109.7356 cm^3
• Polarizability: 41.67279 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds