1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide

• ChemBase ID: 111388
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccccc1C(=O)N(CC)CC)CC
• InChI: InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
• InChIKey: OPTBBAGXQYOFTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
• IUPAC Traditional name: 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
• Synonyms: TETRAETHYLPHTHALAMIDE

Database IDs

• CAS Number: 83-81-8
• PubChem SID: 162096643
• PubChem CID: 66526

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9964621
• LogD (pH = 7.4): 1.9964625
• Log P: 1.9964625
• Molar Refractivity: 82.796 cm^3
• Polarizability: 30.723297 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218966

MP Biomedicals Rare Chemical collection