2-aminooxy-N-(4-nitrophenyl)acetamide

C8H9N3O4 — CID 159220259

IUPAC2-aminooxy-N-(4-nitrophenyl)acetamide
SMILESNOCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O4/c9-15-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyVGPSCWYPYBIQLA-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.42
Rot. Bonds4

About 2-aminooxy-N-(4-nitrophenyl)acetamide

2-aminooxy-N-(4-nitrophenyl)acetamide (PubChem CID 159220259) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-aminooxy-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-aminooxy-N-(4-nitrophenyl)acetamide
PubChem CID159220259
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-aminooxy-N-(4-nitrophenyl)acetamide
SMILESNOCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O4/c9-15-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyVGPSCWYPYBIQLA-UHFFFAOYSA-N
XLogP0.42
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[2-(4-nitroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 7981216
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
[2-(4-nitroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752563
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
propan-2-yl 4-[[2-(4-nitrobenzoyl)oxyacetyl]amino]benzoate
CID 7859404
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-aminooxy-N-(4-nitrophenyl)acetamide (CID 159220259) is 2-aminooxy-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-aminooxy-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-aminooxy-N-(4-nitrophenyl)acetamide is NOCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-aminooxy-N-(4-nitrophenyl)acetamide?
The InChIKey is VGPSCWYPYBIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-15-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12).
What are the key properties of 2-aminooxy-N-(4-nitrophenyl)acetamide?
2-aminooxy-N-(4-nitrophenyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 159220259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).