2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide

• ChemBase ID: 188806
• Molecular Formular: C26H36N2O2
• Molecular Mass: 408.57624
• Monoisotopic Mass: 408.2776784
• SMILES: C(=O)(NNC(=O)C(c1ccc(cc1)CC(C)C)C)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(c1ccc(cc1)CC(C)C)C(=O)NNC(=O)C(c1ccc(cc1)CC(C)C)C
• InChI: InChI=1S/C26H36N2O2/c1-17(2)15-21-7-11-23(12-8-21)19(5)25(29)27-28-26(30)20(6)24-13-9-22(10-14-24)16-18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30)
• InChIKey: ONQMUCBXFXBDBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide
• IUPAC Traditional name: 2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide

Database IDs

• PubChem SID: 164244716
• PubChem CID: 3126733

CALCULATED PROPERTIES

• Acid pKa: 10.584089
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.514067
• LogD (pH = 7.4): 6.5138183
• Log P: 6.51407
• Molar Refractivity: 123.5082 cm^3
• Polarizability: 47.982655 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds