2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide

C14H13N3O4 — CID 27554275

IUPAC2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCc1ccccn1
InChIInChI=1S/C14H13N3O4/c18-14(16-9-11-5-3-4-8-15-11)10-21-13-7-2-1-6-12(13)17(19)20/h1-8H,9-10H2,(H,16,18)
InChIKeyKEDKQCWMBYKNRZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.68
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 27554275) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID27554275
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCc1ccccn1
InChIInChI=1S/C14H13N3O4/c18-14(16-9-11-5-3-4-8-15-11)10-21-13-7-2-1-6-12(13)17(19)20/h1-8H,9-10H2,(H,16,18)
InChIKeyKEDKQCWMBYKNRZ-UHFFFAOYSA-N
XLogP1.68
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
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

N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 8700559
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 27554275) is 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccn1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KEDKQCWMBYKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-14(16-9-11-5-3-4-8-15-11)10-21-13-7-2-1-6-12(13)17(19)20/h1-8H,9-10H2,(H,16,18).
What are the key properties of 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 287.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 27554275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).