2,2-dimethylpropanamide

C5H11NO — CID 12957

IUPAC2,2-dimethylpropanamide
SMILESCC(C)(C)C(N)=O
InChIInChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKeyXIPFMBOWZXULIA-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.52
Rot. Bonds

About 2,2-dimethylpropanamide

2,2-dimethylpropanamide (PubChem CID 12957) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2,2-dimethylpropanamide.

Molecular Properties

Compound Name2,2-dimethylpropanamide
PubChem CID12957
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2,2-dimethylpropanamide
SMILESCC(C)(C)C(N)=O
InChIInChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKeyXIPFMBOWZXULIA-UHFFFAOYSA-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 ≤ 500101.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanamide?
The IUPAC name of 2,2-dimethylpropanamide (CID 12957) is 2,2-dimethylpropanamide.
What is the SMILES notation for 2,2-dimethylpropanamide?
The canonical SMILES for 2,2-dimethylpropanamide is CC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethylpropanamide?
The InChIKey is XIPFMBOWZXULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7).
What are the key properties of 2,2-dimethylpropanamide?
2,2-dimethylpropanamide has a molecular weight of 101.15 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 2,2-dimethylpropanamide is sourced from PubChem (CID 12957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).