2-Acetamido-N-methylacetamide | C5H10N2O2 | MD Topology | NMR | X-Ray

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Molecule Information
Molecule Typeamino acid
Residue Name (RNME)7D69
FormulaC5H10N2O2
IUPAC InChI Key
FJMAXCRRCJSCIE-UHFFFAOYSA-N
IUPAC InChI
InChI=1S/C5H10N2O2/c1-4(8)7-3-5(9)6-2/h3H2,1-2H3,(H,6,9)(H,7,8)
IUPAC Name
2-acetamido-N-methylacetamide
Common Name2-Acetamido-N-methylacetamide
Canonical SMILES (Daylight)
CNC(=O)CNC(=O)C
Number of atoms19
Net Charge0
Forcefieldmultiple
Molecule ID22639
ChemSpider ID388603
Visibility Public
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NMR Parameters

1H NMR Spectrum

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Processing Stage Template Semi-Empirical QM (QM0) DFT QM (QM1) DFT Hessian QM (QM2)
Calculation None Energy Minization Energy Minization Hessian
Level of Theory None Semi-Empirical / SCF DFT (B3LYP/6-31G*) DFT (B3LYP/6-31G*)
Default Size Limit (Atoms) 2000 500 50 40
Content of MD Topology
Charges Derived From None MOPAC Merz-Singh-Kollman Merz-Singh-Kollman
Geometry  User Provided Optimized Optimized Optimized
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 Hessian Based:

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Current Processing StateCompleted
Total Processing Time5:55:09 (hh:mm:ss)

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