N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide

C9H19N3O2 — CID 76929143

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
SMILESCN(CC(N)=NO)C(=O)CC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-9(2,3)5-8(13)12(4)6-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyOUEQIRDPNQGOAN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.63
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide

N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide (PubChem CID 76929143) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
PubChem CID76929143
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
SMILESCN(CC(N)=NO)C(=O)CC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-9(2,3)5-8(13)12(4)6-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyOUEQIRDPNQGOAN-UHFFFAOYSA-N
XLogP0.63
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.63
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'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
CID 76929212
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
CID 107940532
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide
CID 79205398
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 76994029
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
CID 82987182

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide (CID 76929143) is N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide is CN(CC(N)=NO)C(=O)CC(C)(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide?
The InChIKey is OUEQIRDPNQGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)5-8(13)12(4)6-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide?
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76929143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).