N-ethyl-N-formylpropanamide

C6H11NO2 — CID 23533158

IUPACN-ethyl-N-formylpropanamide
SMILESCCC(=O)N(C=O)CC
InChIInChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h5H,3-4H2,1-2H3
InChIKeyFKTWLPFFEIJTQC-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.40
Rot. Bonds3

About N-ethyl-N-formylpropanamide

N-ethyl-N-formylpropanamide (PubChem CID 23533158) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-ethyl-N-formylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-formylpropanamide
PubChem CID23533158
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-ethyl-N-formylpropanamide
SMILESCCC(=O)N(C=O)CC
InChIInChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h5H,3-4H2,1-2H3
InChIKeyFKTWLPFFEIJTQC-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylpropionamide
CID 66191
N-acetyl-N-butylacetamide
CID 73810
N-Ethyl-N-methylpropionamide
CID 18387020
N-Acetyl-N-propylacetamide
CID 15280
N-acetyl-N-ethyl-2-methylpropanamide
CID 134237402
N-(4-fluorobutyl)-N-formylacetamide
CID 149204598
N-methyl-N-propylpropanamide
CID 19752018
N-Methylpropionamide, N-acetyl-
CID 20334690
N-ethyl-N-formylacetamide
CID 12885790
N-Acetyl-N-ethylbutanamide
CID 13757760
N-acetyl-N-butylpropanamide
CID 15271588
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-formylpropanamide?
The IUPAC name of N-ethyl-N-formylpropanamide (CID 23533158) is N-ethyl-N-formylpropanamide.
What is the SMILES notation for N-ethyl-N-formylpropanamide?
The canonical SMILES for N-ethyl-N-formylpropanamide is CCC(=O)N(C=O)CC.
What is the InChIKey of N-ethyl-N-formylpropanamide?
The InChIKey is FKTWLPFFEIJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h5H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-formylpropanamide?
N-ethyl-N-formylpropanamide has a molecular weight of 129.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-formylpropanamide is sourced from PubChem (CID 23533158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).