N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C14H14N2O3 — CID 9354794

IUPACN-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])NCc1ccccc1
InChIInChI=1S/C14H14N2O3/c17-13(15-10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-16(14)18/h1-9H,10-11H2,(H,15,17)
InChIKeyIDYARFRNFGFYRL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.02
Rot. Bonds5

About N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354794) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354794
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])NCc1ccccc1
InChIInChI=1S/C14H14N2O3/c17-13(15-10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-16(14)18/h1-9H,10-11H2,(H,15,17)
InChIKeyIDYARFRNFGFYRL-UHFFFAOYSA-N
XLogP1.02
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354911
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
[2-(benzylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834058
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7803090
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354794) is N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is O=C(COc1cccc[n+]1[O-])NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is IDYARFRNFGFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(15-10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-16(14)18/h1-9H,10-11H2,(H,15,17).
What are the key properties of N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 258.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).