N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide

C9H19N3O3 — CID 103940460

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(2)15-5-8(13)12(4)7(3)9(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11)
InChIKeyGMRSYKQAPSEKFJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.00
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide (PubChem CID 103940460) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
PubChem CID103940460
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(2)15-5-8(13)12(4)7(3)9(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11)
InChIKeyGMRSYKQAPSEKFJ-UHFFFAOYSA-N
XLogP0.00
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015123
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide (CID 103940460) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide?
The InChIKey is GMRSYKQAPSEKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(2)15-5-8(13)12(4)7(3)9(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide has a molecular weight of 217.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 103940460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).