N,N,N',N'-tetrabutyloxamide

C18H36N2O2 — CID 3417535

IUPACN,N,N',N'-tetrabutyloxamide
SMILESCCCCN(CCCC)C(=O)C(=O)N(CCCC)CCCC
InChIInChI=1S/C18H36N2O2/c1-5-9-13-19(14-10-6-2)17(21)18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyBIRAXYAFJSEWBB-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.84
Rot. Bonds12

About N,N,N',N'-tetrabutyloxamide

N,N,N',N'-tetrabutyloxamide (PubChem CID 3417535) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N,N,N',N'-tetrabutyloxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrabutyloxamide
PubChem CID3417535
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN,N,N',N'-tetrabutyloxamide
SMILESCCCCN(CCCC)C(=O)C(=O)N(CCCC)CCCC
InChIInChI=1S/C18H36N2O2/c1-5-9-13-19(14-10-6-2)17(21)18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyBIRAXYAFJSEWBB-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
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,N,N',N'-tetrabutyloxamide?
The IUPAC name of N,N,N',N'-tetrabutyloxamide (CID 3417535) is N,N,N',N'-tetrabutyloxamide.
What is the SMILES notation for N,N,N',N'-tetrabutyloxamide?
The canonical SMILES for N,N,N',N'-tetrabutyloxamide is CCCCN(CCCC)C(=O)C(=O)N(CCCC)CCCC.
What is the InChIKey of N,N,N',N'-tetrabutyloxamide?
The InChIKey is BIRAXYAFJSEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-5-9-13-19(14-10-6-2)17(21)18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of N,N,N',N'-tetrabutyloxamide?
N,N,N',N'-tetrabutyloxamide has a molecular weight of 312.50 g/mol, XLogP of 3.84, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabutyloxamide is sourced from PubChem (CID 3417535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).