N-ethoxy-2-oxoacetamide

C4H7NO3 — CID 19818586

IUPACN-ethoxy-2-oxoacetamide
SMILESCCONC(=O)C=O
InChIInChI=1S/C4H7NO3/c1-2-8-5-4(7)3-6/h3H,2H2,1H3,(H,5,7)
InChIKeyVUWSBWGIYVQRKL-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.75
Rot. Bonds3

About N-ethoxy-2-oxoacetamide

N-ethoxy-2-oxoacetamide (PubChem CID 19818586) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is N-ethoxy-2-oxoacetamide.

Molecular Properties

Compound NameN-ethoxy-2-oxoacetamide
PubChem CID19818586
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-ethoxy-2-oxoacetamide
SMILESCCONC(=O)C=O
InChIInChI=1S/C4H7NO3/c1-2-8-5-4(7)3-6/h3H,2H2,1H3,(H,5,7)
InChIKeyVUWSBWGIYVQRKL-UHFFFAOYSA-N
XLogP-0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-oxoacetamide?
The IUPAC name of N-ethoxy-2-oxoacetamide (CID 19818586) is N-ethoxy-2-oxoacetamide.
What is the SMILES notation for N-ethoxy-2-oxoacetamide?
The canonical SMILES for N-ethoxy-2-oxoacetamide is CCONC(=O)C=O.
What is the InChIKey of N-ethoxy-2-oxoacetamide?
The InChIKey is VUWSBWGIYVQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2-8-5-4(7)3-6/h3H,2H2,1H3,(H,5,7).
What are the key properties of N-ethoxy-2-oxoacetamide?
N-ethoxy-2-oxoacetamide has a molecular weight of 117.10 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-oxoacetamide is sourced from PubChem (CID 19818586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).