[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate

C22H18N2O6 — CID 7788820

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O6/c25-21(23-18-11-5-4-10-17(18)16-8-2-1-3-9-16)14-30-22(26)15-29-20-13-7-6-12-19(20)24(27)28/h1-13H,14-15H2,(H,23,25)
InChIKeyJRYCGNRKLYWQMI-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.82
Rot. Bonds8

About [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate (PubChem CID 7788820) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
PubChem CID7788820
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O6/c25-21(23-18-11-5-4-10-17(18)16-8-2-1-3-9-16)14-30-22(26)15-29-20-13-7-6-12-19(20)24(27)28/h1-13H,14-15H2,(H,23,25)
InChIKeyJRYCGNRKLYWQMI-UHFFFAOYSA-N
XLogP3.82
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-nitroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920193
[2-(2-methylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626764
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42968431
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626827
[2-(2-nitroanilino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 5226542
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789063
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 23735196
2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130922

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate (CID 7788820) is [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate is O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate?
The InChIKey is JRYCGNRKLYWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6/c25-21(23-18-11-5-4-10-17(18)16-8-2-1-3-9-16)14-30-22(26)15-29-20-13-7-6-12-19(20)24(27)28/h1-13H,14-15H2,(H,23,25).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate has a molecular weight of 406.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 7788820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).