3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide

C8H17N3O2 — CID 76919558

IUPAC3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCCN(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-5-11(4)7(12)8(2,3)6(9)10-13/h13H,5H2,1-4H3,(H2,9,10)
InChIKeyPXXZVOZFSXFPSX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.24
Rot. Bonds3

About 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide

3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide (PubChem CID 76919558) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
PubChem CID76919558
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCCN(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-5-11(4)7(12)8(2,3)6(9)10-13/h13H,5H2,1-4H3,(H2,9,10)
InChIKeyPXXZVOZFSXFPSX-UHFFFAOYSA-N
XLogP0.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
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': 'oxime_1', '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 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide (CID 76919558) is 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide is CCN(C)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide?
The InChIKey is PXXZVOZFSXFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5-11(4)7(12)8(2,3)6(9)10-13/h13H,5H2,1-4H3,(H2,9,10).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide?
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide is sourced from PubChem (CID 76919558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).