N-methyl-N-[2-(N-methylacetamido)ethyl]acetamide

• ChemBase ID: 111907
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: CN(CCN(C)C(=O)C)C(=O)C
• Canonical SMILES: CN(C(=O)C)CCN(C(=O)C)C
• InChI: InChI=1S/C8H16N2O2/c1-7(11)9(3)5-6-10(4)8(2)12/h5-6H2,1-4H3
• InChIKey: TYJXKGNJOSVQCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(N-methylacetamido)ethyl]acetamide
• IUPAC Traditional name: N-methyl-N-[2-(N-methylacetamido)ethyl]acetamide
• Synonyms: N,N'-DIACETYL-N,N'-DIMETHYL ETHYLENE DIAMINE

Database IDs

• PubChem SID: 162106557
• PubChem CID: 12807949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3373978
• LogD (pH = 7.4): -1.3373973
• Log P: -1.3373973
• Molar Refractivity: 46.5496 cm^3
• Polarizability: 17.910904 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221675

MP Biomedicals Rare Chemical collection