N,N'-dicyclohexyl-N'',N'''-dimethylpropanediamide

• ChemBase ID: 229171
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: C(=O)(CC(=O)N(C1CCCCC1)C)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)CC(=O)N(C1CCCCC1)C)C1CCCCC1
• InChI: InChI=1S/C17H30N2O2/c1-18(14-9-5-3-6-10-14)16(20)13-17(21)19(2)15-11-7-4-8-12-15/h14-15H,3-13H2,1-2H3
• InChIKey: KZQMWBRKQSWRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dicyclohexyl-N'',N'''-dimethylpropanediamide
• IUPAC Traditional name: N,N'-dicyclohexyl-N'',N'''-dimethylpropanediamide
• Synonyms: N,N'-Dicyclohexyl-N,N'-dimethyl-malonamide

Database IDs

• MDL Number: MFCD03965872
• PubChem SID: 164285081
• PubChem CID: 2388930

CALCULATED PROPERTIES

• Acid pKa: 12.6063175
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5482428
• LogD (pH = 7.4): 2.5482402
• Log P: 2.5482428
• Molar Refractivity: 84.2474 cm^3
• Polarizability: 32.999687 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.277

Product Information

• Purity: 95%