N-tert-butyl-N'-ethyl-N'-formyloxamide

C9H16N2O3 — CID 57224343

IUPACN-tert-butyl-N'-ethyl-N'-formyloxamide
SMILESCCN(C=O)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-5-11(6-12)8(14)7(13)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyFFCMLYMKKUOWRF-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.09
Rot. Bonds2

About N-tert-butyl-N'-ethyl-N'-formyloxamide

N-tert-butyl-N'-ethyl-N'-formyloxamide (PubChem CID 57224343) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-formyloxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-formyloxamide
PubChem CID57224343
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-tert-butyl-N'-ethyl-N'-formyloxamide
SMILESCCN(C=O)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-5-11(6-12)8(14)7(13)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyFFCMLYMKKUOWRF-UHFFFAOYSA-N
XLogP-0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-N'-formyloxamide?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-formyloxamide (CID 57224343) is N-tert-butyl-N'-ethyl-N'-formyloxamide.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-formyloxamide?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-formyloxamide is CCN(C=O)C(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-formyloxamide?
The InChIKey is FFCMLYMKKUOWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-11(6-12)8(14)7(13)10-9(2,3)4/h6H,5H2,1-4H3,(H,10,13).
What are the key properties of N-tert-butyl-N'-ethyl-N'-formyloxamide?
N-tert-butyl-N'-ethyl-N'-formyloxamide has a molecular weight of 200.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-N'-formyloxamide is sourced from PubChem (CID 57224343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).