N,N'-dicyclohexyl-N'',N'''-diethylpropanediamide

• ChemBase ID: 229197
• Molecular Formular: C19H34N2O2
• Molecular Mass: 322.48546
• Monoisotopic Mass: 322.26202834
• SMILES: C(=O)(CC(=O)N(C1CCCCC1)CC)N(C1CCCCC1)CC
• Canonical SMILES: CCN(C(=O)CC(=O)N(C1CCCCC1)CC)C1CCCCC1
• InChI: InChI=1S/C19H34N2O2/c1-3-20(16-11-7-5-8-12-16)18(22)15-19(23)21(4-2)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3
• InChIKey: OXLFAZFQPQGKBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dicyclohexyl-N'',N'''-diethylpropanediamide
• IUPAC Traditional name: N,N'-dicyclohexyl-N'',N'''-diethylpropanediamide
• Synonyms: N,N'-Dicyclohexyl-N,N'-diethyl-malonamide

Database IDs

• MDL Number: MFCD03966846
• PubChem SID: 164285107
• PubChem CID: 2392230

CALCULATED PROPERTIES

• Acid pKa: 12.5857525
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2618587
• LogD (pH = 7.4): 3.2618558
• Log P: 3.2618587
• Molar Refractivity: 93.7446 cm^3
• Polarizability: 36.681385 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.335

Product Information

• Purity: 95%