2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide

C4H9NO — CID 22789542

IUPAC2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3
InChIKeyFXHOOIRPVKKKFG-GQALSZNTSA-N
MW96.18 g/mol
LogP0.09
Rot. Bonds3

About 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide

2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide (PubChem CID 22789542) has the molecular formula C4H9NO and a molecular weight of 96.18 g/mol. Its IUPAC name is 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
PubChem CID22789542
Molecular FormulaC4H9NO
Molecular Weight96.18 g/mol
Exact Mass96.12
IUPAC Name2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3
InChIKeyFXHOOIRPVKKKFG-GQALSZNTSA-N
XLogP0.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.18
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide?
The IUPAC name of 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide (CID 22789542) is 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide.
What is the SMILES notation for 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide?
The canonical SMILES for 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide is [2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide?
The InChIKey is FXHOOIRPVKKKFG-GQALSZNTSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3.
What are the key properties of 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide?
2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide has a molecular weight of 96.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide is sourced from PubChem (CID 22789542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).