N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide

C6H14N2O2 — CID 87229203

IUPACN-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide
SMILESC[15NH]C(C)=O.[2H]N(C(=O)C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/2C3H7NO/c2*1-3(5)4-2/h2*1-2H3,(H,4,5)/i1D3,2D3;4+1/hD
InChIKeyCHLYRNGDXUUQKL-ACZUTBSWSA-N
MW154.23 g/mol
LogP-0.50
Rot. Bonds2

About N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide

N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide (PubChem CID 87229203) has the molecular formula C6H14N2O2 and a molecular weight of 154.23 g/mol. Its IUPAC name is N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound NameN-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide
PubChem CID87229203
Molecular FormulaC6H14N2O2
Molecular Weight154.23 g/mol
Exact Mass154.15
IUPAC NameN-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide
SMILESC[15NH]C(C)=O.[2H]N(C(=O)C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/2C3H7NO/c2*1-3(5)4-2/h2*1-2H3,(H,4,5)/i1D3,2D3;4+1/hD
InChIKeyCHLYRNGDXUUQKL-ACZUTBSWSA-N
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide?
The IUPAC name of N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide (CID 87229203) is N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide?
The canonical SMILES for N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide is C[15NH]C(C)=O.[2H]N(C(=O)C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide?
The InChIKey is CHLYRNGDXUUQKL-ACZUTBSWSA-N. The full InChI is InChI=1S/2C3H7NO/c2*1-3(5)4-2/h2*1-2H3,(H,4,5)/i1D3,2D3;4+1/hD.
What are the key properties of N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide?
N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide has a molecular weight of 154.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 87229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).