N'-butan-2-yloxyoxamide

C6H12N2O3 — CID 175241762

IUPACN'-butan-2-yloxyoxamide
SMILESCCC(C)ONC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-4(2)11-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyLSQLSUJOZUVMNT-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.68
Rot. Bonds3

About N'-butan-2-yloxyoxamide

N'-butan-2-yloxyoxamide (PubChem CID 175241762) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is N'-butan-2-yloxyoxamide.

Molecular Properties

Compound NameN'-butan-2-yloxyoxamide
PubChem CID175241762
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC NameN'-butan-2-yloxyoxamide
SMILESCCC(C)ONC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-4(2)11-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyLSQLSUJOZUVMNT-UHFFFAOYSA-N
XLogP-0.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-butan-2-yloxyoxamide?
The IUPAC name of N'-butan-2-yloxyoxamide (CID 175241762) is N'-butan-2-yloxyoxamide.
What is the SMILES notation for N'-butan-2-yloxyoxamide?
The canonical SMILES for N'-butan-2-yloxyoxamide is CCC(C)ONC(=O)C(N)=O.
What is the InChIKey of N'-butan-2-yloxyoxamide?
The InChIKey is LSQLSUJOZUVMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-4(2)11-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of N'-butan-2-yloxyoxamide?
N'-butan-2-yloxyoxamide has a molecular weight of 160.17 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yloxyoxamide is sourced from PubChem (CID 175241762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).