N'-tert-butyloxamide;tetraethylazanium

C14H32N3O2+ — CID 88691963

IUPACN'-tert-butyloxamide;tetraethylazanium
SMILESCC(C)(C)NC(=O)C(N)=O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C6H12N2O2/c1-5-9(6-2,7-3)8-4;1-6(2,3)8-5(10)4(7)9/h5-8H2,1-4H3;1-3H3,(H2,7,9)(H,8,10)/q+1;
InChIKeyHQRXNVIHLZAZQL-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.27
Rot. Bonds4

About N'-tert-butyloxamide;tetraethylazanium

N'-tert-butyloxamide;tetraethylazanium (PubChem CID 88691963) has the molecular formula C14H32N3O2+ and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-tert-butyloxamide;tetraethylazanium.

Molecular Properties

Compound NameN'-tert-butyloxamide;tetraethylazanium
PubChem CID88691963
Molecular FormulaC14H32N3O2+
Molecular Weight274.43 g/mol
Exact Mass274.25
IUPAC NameN'-tert-butyloxamide;tetraethylazanium
SMILESCC(C)(C)NC(=O)C(N)=O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C6H12N2O2/c1-5-9(6-2,7-3)8-4;1-6(2,3)8-5(10)4(7)9/h5-8H2,1-4H3;1-3H3,(H2,7,9)(H,8,10)/q+1;
InChIKeyHQRXNVIHLZAZQL-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyloxamide;tetraethylazanium?
The IUPAC name of N'-tert-butyloxamide;tetraethylazanium (CID 88691963) is N'-tert-butyloxamide;tetraethylazanium.
What is the SMILES notation for N'-tert-butyloxamide;tetraethylazanium?
The canonical SMILES for N'-tert-butyloxamide;tetraethylazanium is CC(C)(C)NC(=O)C(N)=O.CC[N+](CC)(CC)CC.
What is the InChIKey of N'-tert-butyloxamide;tetraethylazanium?
The InChIKey is HQRXNVIHLZAZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C6H12N2O2/c1-5-9(6-2,7-3)8-4;1-6(2,3)8-5(10)4(7)9/h5-8H2,1-4H3;1-3H3,(H2,7,9)(H,8,10)/q+1;.
What are the key properties of N'-tert-butyloxamide;tetraethylazanium?
N'-tert-butyloxamide;tetraethylazanium has a molecular weight of 274.43 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyloxamide;tetraethylazanium is sourced from PubChem (CID 88691963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).