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

C5H11NO — CID 118372330

IUPAC3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C(C)(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)/i1D3,2D3
InChIKeyXIPFMBOWZXULIA-WFGJKAKNSA-N
MW107.19 g/mol
LogP0.52
Rot. Bonds

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

3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide (PubChem CID 118372330) has the molecular formula C5H11NO and a molecular weight of 107.19 g/mol. Its IUPAC name is 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide
PubChem CID118372330
Molecular FormulaC5H11NO
Molecular Weight107.19 g/mol
Exact Mass107.12
IUPAC Name3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])C(C)(C(N)=O)C([2H])([2H])[2H]
InChIInChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)/i1D3,2D3
InChIKeyXIPFMBOWZXULIA-WFGJKAKNSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide?
The IUPAC name of 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide (CID 118372330) is 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide.
What is the SMILES notation for 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide?
The canonical SMILES for 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide is [2H]C([2H])([2H])C(C)(C(N)=O)C([2H])([2H])[2H].
What is the InChIKey of 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide?
The InChIKey is XIPFMBOWZXULIA-WFGJKAKNSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)/i1D3,2D3.
What are the key properties of 3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide?
3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide has a molecular weight of 107.19 g/mol, XLogP of 0.52, 0 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-methyl-2-(trideuteriomethyl)propanamide is sourced from PubChem (CID 118372330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).