3,3,3-trideuterio-2-(trideuteriomethyl)propanamide

C4H9NO — CID 45039886

IUPAC3,3,3-trideuterio-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3
InChIKeyWFKAJVHLWXSISD-WFGJKAKNSA-N
MW93.16 g/mol
LogP0.13
Rot. Bonds3

About 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide

3,3,3-trideuterio-2-(trideuteriomethyl)propanamide (PubChem CID 45039886) has the molecular formula C4H9NO and a molecular weight of 93.16 g/mol. Its IUPAC name is 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trideuterio-2-(trideuteriomethyl)propanamide
PubChem CID45039886
Molecular FormulaC4H9NO
Molecular Weight93.16 g/mol
Exact Mass93.11
IUPAC Name3,3,3-trideuterio-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3
InChIKeyWFKAJVHLWXSISD-WFGJKAKNSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide?
The IUPAC name of 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide (CID 45039886) is 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide.
What is the SMILES notation for 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide?
The canonical SMILES for 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide is [2H]C([2H])([2H])C(C(N)=O)C([2H])([2H])[2H].
What is the InChIKey of 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide?
The InChIKey is WFKAJVHLWXSISD-WFGJKAKNSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3.
What are the key properties of 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide?
3,3,3-trideuterio-2-(trideuteriomethyl)propanamide has a molecular weight of 93.16 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trideuterio-2-(trideuteriomethyl)propanamide is sourced from PubChem (CID 45039886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).