N-ethyl-2-(ethylamino)acetamide

• ChemBase ID: 244395
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NCC)CNCC
• Canonical SMILES: CCNCC(=O)NCC
• InChI: InChI=1S/C6H14N2O/c1-3-7-5-6(9)8-4-2/h7H,3-5H2,1-2H3,(H,8,9)
• InChIKey: QXEXBEVZURKZKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(ethylamino)acetamide
• IUPAC Traditional name: N-ethyl-2-(ethylamino)acetamide
• Synonyms: N-ethyl-2-(ethylamino)acetamide

Database IDs

• CAS Number: 97454-46-1
• MDL Number: MFCD06380313
• PubChem SID: 164300305
• PubChem CID: 2466702

CALCULATED PROPERTIES

• Acid pKa: 16.18826
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5925014
• LogD (pH = 7.4): -2.0786304
• Log P: -0.5845458
• Molar Refractivity: 36.9941 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%