N'-ethyloxamide

C4H8N2O2 — CID 23354329

IUPACN'-ethyloxamide
SMILESCCNC(=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyTYPDOONVJVBDKE-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.39
Rot. Bonds1

About N'-ethyloxamide

N'-ethyloxamide (PubChem CID 23354329) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N'-ethyloxamide.

Molecular Properties

Compound NameN'-ethyloxamide
PubChem CID23354329
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN'-ethyloxamide
SMILESCCNC(=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyTYPDOONVJVBDKE-UHFFFAOYSA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyloxamide?
The IUPAC name of N'-ethyloxamide (CID 23354329) is N'-ethyloxamide.
What is the SMILES notation for N'-ethyloxamide?
The canonical SMILES for N'-ethyloxamide is CCNC(=O)C(N)=O.
What is the InChIKey of N'-ethyloxamide?
The InChIKey is TYPDOONVJVBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8).
What are the key properties of N'-ethyloxamide?
N'-ethyloxamide has a molecular weight of 116.12 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyloxamide is sourced from PubChem (CID 23354329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).