N'-butyl-N-ethyloxamide

C8H16N2O2 — CID 4532294

IUPACN'-butyl-N-ethyloxamide
SMILESCCCCNC(=O)C(=O)NCC
InChIInChI=1S/C8H16N2O2/c1-3-5-6-10-8(12)7(11)9-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyNQNWEXYMLFXMLX-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.04
Rot. Bonds4

About N'-butyl-N-ethyloxamide

N'-butyl-N-ethyloxamide (PubChem CID 4532294) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-butyl-N-ethyloxamide.

Molecular Properties

Compound NameN'-butyl-N-ethyloxamide
PubChem CID4532294
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-butyl-N-ethyloxamide
SMILESCCCCNC(=O)C(=O)NCC
InChIInChI=1S/C8H16N2O2/c1-3-5-6-10-8(12)7(11)9-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyNQNWEXYMLFXMLX-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethyloxamide?
The IUPAC name of N'-butyl-N-ethyloxamide (CID 4532294) is N'-butyl-N-ethyloxamide.
What is the SMILES notation for N'-butyl-N-ethyloxamide?
The canonical SMILES for N'-butyl-N-ethyloxamide is CCCCNC(=O)C(=O)NCC.
What is the InChIKey of N'-butyl-N-ethyloxamide?
The InChIKey is NQNWEXYMLFXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-6-10-8(12)7(11)9-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N'-butyl-N-ethyloxamide?
N'-butyl-N-ethyloxamide has a molecular weight of 172.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethyloxamide is sourced from PubChem (CID 4532294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).