N,N,N',N'-tetrakis(2-methoxyethyl)propanediamide

• ChemBase ID: 229206
• Molecular Formular: C15H30N2O6
• Molecular Mass: 334.4085
• Monoisotopic Mass: 334.21038669
• SMILES: C(C(=O)N(CCOC)CCOC)C(=O)N(CCOC)CCOC
• Canonical SMILES: COCCN(C(=O)CC(=O)N(CCOC)CCOC)CCOC
• InChI: InChI=1S/C15H30N2O6/c1-20-9-5-16(6-10-21-2)14(18)13-15(19)17(7-11-22-3)8-12-23-4/h5-13H2,1-4H3
• InChIKey: FUXIXDSWFRGEOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N',N'-tetrakis(2-methoxyethyl)propanediamide
• IUPAC Traditional name: N,N,N',N'-tetrakis(2-methoxyethyl)propanediamide
• Synonyms: N,N,N',N'-Tetrakis-(2-methoxy-ethyl)-malonamide

Database IDs

• MDL Number: MFCD03965930
• PubChem SID: 164285116
• PubChem CID: 3764070

CALCULATED PROPERTIES

• Acid pKa: 12.575816
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.2382003
• LogD (pH = 7.4): -1.2382032
• Log P: -1.2382003
• Molar Refractivity: 86.393 cm^3
• Polarizability: 33.6518 Å^3
• Polar Surface Area: 77.54 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.897

Product Information

• Purity: 95%