[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate

C16H15N3O3 — CID 4247073

IUPAC[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c1-12(20)22-11-16(21)17-13-7-9-15(10-8-13)19-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,21)/b19-18+
InChIKeyKKOWKUPKJJPEDO-VHEBQXMUSA-N
MW297.31 g/mol
LogP3.60
Rot. Bonds5

About [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate

[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate (PubChem CID 4247073) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate
PubChem CID4247073
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c1-12(20)22-11-16(21)17-13-7-9-15(10-8-13)19-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,21)/b19-18+
InChIKeyKKOWKUPKJJPEDO-VHEBQXMUSA-N
XLogP3.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-Aminophenyl)morpholin-3-one
CID 11194854
4'-(Phenylazo)acetanilide
CID 20085
Ethyl 2-(4-fluoroanilino)-2-oxoacetate
CID 2774365
Ethyl oxanilate
CID 73826
2-methoxy-N-phenylacetamide
CID 264222
Acetamide, N-(4-fluorophenyl)-2-methoxy-
CID 532080
Acetamide, N,N'-(1,2-diazenediyldi-4,1-phenylene)bis-
CID 27289
N-[4-(4-morpholinylazo)phenyl]acetamide
CID 799944
2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
Acetoxyacetanilide
CID 247117
methyl N-(4-acetamidophenyl)carbamate
CID 750774
N-[4-(dimethylamino)phenyl]-2-methoxyacetamide
CID 885686

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate?
The IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate (CID 4247073) is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate.
What is the SMILES notation for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate?
The canonical SMILES for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate is CC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate?
The InChIKey is KKOWKUPKJJPEDO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12(20)22-11-16(21)17-13-7-9-15(10-8-13)19-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,21)/b19-18+.
What are the key properties of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate?
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate has a molecular weight of 297.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] acetate is sourced from PubChem (CID 4247073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).