2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide

C7H15N3O2 — CID 11446609

IUPAC2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide
SMILESCNC(=O)/C(=N/C(C)(C)C)NO
InChIInChI=1S/C7H15N3O2/c1-7(2,3)9-5(10-12)6(11)8-4/h12H,1-4H3,(H,8,11)(H,9,10)
InChIKeyAECWLFRIHCYZNF-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.09
Rot. Bonds

About 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide

2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide (PubChem CID 11446609) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide
PubChem CID11446609
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide
SMILESCNC(=O)/C(=N/C(C)(C)C)NO
InChIInChI=1S/C7H15N3O2/c1-7(2,3)9-5(10-12)6(11)8-4/h12H,1-4H3,(H,8,11)(H,9,10)
InChIKeyAECWLFRIHCYZNF-UHFFFAOYSA-N
XLogP-0.09
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide?
The IUPAC name of 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide (CID 11446609) is 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide.
What is the SMILES notation for 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide?
The canonical SMILES for 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide is CNC(=O)/C(=N/C(C)(C)C)NO.
What is the InChIKey of 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide?
The InChIKey is AECWLFRIHCYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2,3)9-5(10-12)6(11)8-4/h12H,1-4H3,(H,8,11)(H,9,10).
What are the key properties of 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide?
2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide has a molecular weight of 173.22 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide is sourced from PubChem (CID 11446609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).