N,N'-dicyclohexylpropanediamide

• ChemBase ID: 229125
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: C(=O)(CC(=O)NC1CCCCC1)NC1CCCCC1
• Canonical SMILES: O=C(CC(=O)NC1CCCCC1)NC1CCCCC1
• InChI: InChI=1S/C15H26N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,18)(H,17,19)
• InChIKey: LLWDZKXTXQFQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dicyclohexylpropanediamide
• IUPAC Traditional name: N,N'-dicyclohexylpropanediamide
• Synonyms: N,N'-Dicyclohexyl-malonamide

Database IDs

• CAS Number: 10256-00-5
• MDL Number: MFCD00431335
• PubChem SID: 164285035
• PubChem CID: 202372

CALCULATED PROPERTIES

• Acid pKa: 12.705074
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1008906
• LogD (pH = 7.4): 2.1008885
• Log P: 2.1008906
• Molar Refractivity: 74.454 cm^3
• Polarizability: 29.320707 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.417

Product Information

• Purity: 95%