1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide

• ChemBase ID: 80158
• Molecular Formular: C15H30N3O3P
• Molecular Mass: 331.390761
• Monoisotopic Mass: 331.20247847
• SMILES: P(C(=O)N(CC)CC)(C(=O)N(CC)CC)C(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)P(C(=O)N(CC)CC)C(=O)N(CC)CC)CC
• InChI: InChI=1S/C15H30N3O3P/c1-7-16(8-2)13(19)22(14(20)17(9-3)10-4)15(21)18(11-5)12-6/h7-12H2,1-6H3
• InChIKey: JNDPTHRENWPPDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide
• IUPAC Traditional name: 1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide
• Synonyms: N,N,N,N,N,N-hexaethylphosphinetricarboxamide

Database IDs

• MDL Number: MFCD00829223
• PubChem SID: 162067278
• PubChem CID: 2775870

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0674999
• LogD (pH = 7.4): 2.0675
• Log P: 2.0675
• Molar Refractivity: 95.0097 cm^3
• Polarizability: 34.74248 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true