• ChemBase ID: 180359
• Molecular Formular: C27H54N2O2
• Molecular Mass: 438.72986
• Monoisotopic Mass: 438.41852898
• SMILES: C(=O)(C(C(=O)N(C)CCCC)CCCCCCCCCCCCCC)N(C)CCCC
• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)N(CCCC)C)C(=O)N(CCCC)C
• InChI: InChI=1S/C27H54N2O2/c1-6-9-12-13-14-15-16-17-18-19-20-21-22-25(26(30)28(4)23-10-7-2)27(31)29(5)24-11-8-3/h25H,6-24H2,1-5H3
• InChIKey: QDRPSHIVUBISGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Database IDs

• PubChem SID: 164236269
• PubChem CID: 14944519

CALCULATED PROPERTIES

• Acid pKa: 13.505011
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.9198785
• LogD (pH = 7.4): 7.9198785
• Log P: 7.9198785
• Molar Refractivity: 134.3537 cm^3
• Polarizability: 52.89231 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false