2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide

• ChemBase ID: 185625
• Molecular Formular: C28H40N2O2
• Molecular Mass: 436.6294
• Monoisotopic Mass: 436.30897853
• SMILES: C(=O)(C(c1ccc(cc1)CC(C)C)C)NCCNC(=O)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(c1ccc(cc1)CC(C)C)C(=O)NCCNC(=O)C(c1ccc(cc1)CC(C)C)C
• InChI: InChI=1S/C28H40N2O2/c1-19(2)17-23-7-11-25(12-8-23)21(5)27(31)29-15-16-30-28(32)22(6)26-13-9-24(10-14-26)18-20(3)4/h7-14,19-22H,15-18H2,1-6H3,(H,29,31)(H,30,32)
• InChIKey: ADXAZTWBWFPYRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide
• IUPAC Traditional name: 2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide

Database IDs

• PubChem SID: 164241535
• PubChem CID: 4371481

CALCULATED PROPERTIES

• Acid pKa: 15.552291
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.349058
• LogD (pH = 7.4): 6.349058
• Log P: 6.349058
• Molar Refractivity: 132.9326 cm^3
• Polarizability: 51.673122 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds