N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide

C8H17N3O3 — CID 107940532

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)CC(N)=NO
InChIInChI=1S/C8H17N3O3/c1-3-4-14-6-8(12)11(2)5-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWFDRQFZXLXEXRQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.38
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide

N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide (PubChem CID 107940532) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
PubChem CID107940532
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)CC(N)=NO
InChIInChI=1S/C8H17N3O3/c1-3-4-14-6-8(12)11(2)5-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWFDRQFZXLXEXRQ-UHFFFAOYSA-N
XLogP-0.38
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
CID 76929212
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-(2-aminopropyl)-N-methyl-2-propoxyacetamide
CID 107941599
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
CID 82987182
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
CID 103805857
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide (CID 107940532) is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide is CCCOCC(=O)N(C)CC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide?
The InChIKey is WFDRQFZXLXEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-4-14-6-8(12)11(2)5-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide is sourced from PubChem (CID 107940532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).