N-ethyl-3-oxobutanamide

C6H11NO2 — CID 24988

IUPACN-ethyl-3-oxobutanamide
SMILESCCNC(=O)CC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-7-6(9)4-5(2)8/h3-4H2,1-2H3,(H,7,9)
InChIKeyREYAJCIAOQNQTF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds3

About N-ethyl-3-oxobutanamide

N-ethyl-3-oxobutanamide (PubChem CID 24988) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-ethyl-3-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-3-oxobutanamide
PubChem CID24988
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-ethyl-3-oxobutanamide
SMILESCCNC(=O)CC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-7-6(9)4-5(2)8/h3-4H2,1-2H3,(H,7,9)
InChIKeyREYAJCIAOQNQTF-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-Methylacetoacetamide
CID 88483
N,N'-ethylenebis(3-oxobutyramide)
CID 73858
N-(2-hydroxyethyl)acetoacetamide
CID 90459
N-Cyclopentylacetoacetamide
CID 252488
Butanamide, N-propyl-
CID 231083
N-Ethylbutanamide
CID 518695
N-Butylpropanamide
CID 221431
Ethanethiol, 2-(acetoacetylamino)-
CID 115912
N-Formyl-3-oxobutanamide
CID 365127
N-Hexyl-3-oxobutanamide
CID 12920957
N-acetonylpropanamide
CID 23550155
3-Oxo-N-2-propen-1-ylbutanamide
CID 537215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxobutanamide?
The IUPAC name of N-ethyl-3-oxobutanamide (CID 24988) is N-ethyl-3-oxobutanamide.
What is the SMILES notation for N-ethyl-3-oxobutanamide?
The canonical SMILES for N-ethyl-3-oxobutanamide is CCNC(=O)CC(C)=O.
What is the InChIKey of N-ethyl-3-oxobutanamide?
The InChIKey is REYAJCIAOQNQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-7-6(9)4-5(2)8/h3-4H2,1-2H3,(H,7,9).
What are the key properties of N-ethyl-3-oxobutanamide?
N-ethyl-3-oxobutanamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxobutanamide is sourced from PubChem (CID 24988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).