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

C4H9NO — CID 59317331

IUPAC2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C([2H])(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3,3D
InChIKeyWFKAJVHLWXSISD-YYWVXINBSA-N
MW94.16 g/mol
LogP0.13
Rot. Bonds3

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

2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide (PubChem CID 59317331) has the molecular formula C4H9NO and a molecular weight of 94.16 g/mol. Its IUPAC name is 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide
PubChem CID59317331
Molecular FormulaC4H9NO
Molecular Weight94.16 g/mol
Exact Mass94.11
IUPAC Name2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C([2H])(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3,3D
InChIKeyWFKAJVHLWXSISD-YYWVXINBSA-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 ≤ 50094.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide?
The IUPAC name of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide (CID 59317331) is 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide.
What is the SMILES notation for 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide?
The canonical SMILES for 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide is [2H]C([2H])([2H])C([2H])(C(N)=O)C([2H])([2H])[2H].
What is the InChIKey of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide?
The InChIKey is WFKAJVHLWXSISD-YYWVXINBSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3,3D.
What are the key properties of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide?
2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide has a molecular weight of 94.16 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 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanamide is sourced from PubChem (CID 59317331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).