2,3,3,3-tetradeuterio-2-methylpropanamide

C4H9NO — CID 58475037

IUPAC2,3,3,3-tetradeuterio-2-methylpropanamide
SMILES[2H]C([2H])([2H])C([2H])(C)C(N)=O
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,3D
InChIKeyWFKAJVHLWXSISD-VYMTUXDUSA-N
MW91.15 g/mol
LogP0.13
Rot. Bonds2

About 2,3,3,3-tetradeuterio-2-methylpropanamide

2,3,3,3-tetradeuterio-2-methylpropanamide (PubChem CID 58475037) has the molecular formula C4H9NO and a molecular weight of 91.15 g/mol. Its IUPAC name is 2,3,3,3-tetradeuterio-2-methylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetradeuterio-2-methylpropanamide
PubChem CID58475037
Molecular FormulaC4H9NO
Molecular Weight91.15 g/mol
Exact Mass91.09
IUPAC Name2,3,3,3-tetradeuterio-2-methylpropanamide
SMILES[2H]C([2H])([2H])C([2H])(C)C(N)=O
InChIInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,3D
InChIKeyWFKAJVHLWXSISD-VYMTUXDUSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
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-methylpropanamide?
The IUPAC name of 2,3,3,3-tetradeuterio-2-methylpropanamide (CID 58475037) is 2,3,3,3-tetradeuterio-2-methylpropanamide.
What is the SMILES notation for 2,3,3,3-tetradeuterio-2-methylpropanamide?
The canonical SMILES for 2,3,3,3-tetradeuterio-2-methylpropanamide is [2H]C([2H])([2H])C([2H])(C)C(N)=O.
What is the InChIKey of 2,3,3,3-tetradeuterio-2-methylpropanamide?
The InChIKey is WFKAJVHLWXSISD-VYMTUXDUSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,3D.
What are the key properties of 2,3,3,3-tetradeuterio-2-methylpropanamide?
2,3,3,3-tetradeuterio-2-methylpropanamide has a molecular weight of 91.15 g/mol, XLogP of 0.13, 2 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-methylpropanamide is sourced from PubChem (CID 58475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).