N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide

C9H19N3O3 — CID 107940494

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-5-15-6-7(13)11-9(2,3)8(10)12-14/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXYKHPXAOMYWWOA-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.05
Rot. Bonds6

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide (PubChem CID 107940494) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide
PubChem CID107940494
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-5-15-6-7(13)11-9(2,3)8(10)12-14/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXYKHPXAOMYWWOA-UHFFFAOYSA-N
XLogP0.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211502
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788730
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788731
[2-[(1-Amino-1-imino-2-methylpropan-2-yl)amino]-2-oxoethyl] acetate
CID 169746541
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxyacetamide
CID 61278178
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-2-methoxyacetamide
CID 61278179
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide
CID 61278794
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-methoxyacetamide
CID 76897411
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022050
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022067
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940423
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940424

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide (CID 107940494) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(C)(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide?
The InChIKey is XYKHPXAOMYWWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-4-5-15-6-7(13)11-9(2,3)8(10)12-14/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide has a molecular weight of 217.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 107940494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).