[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate

C18H18N2O6 — CID 7833036

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O6/c1-2-25-15-9-7-14(8-10-15)19-17(21)12-26-18(22)11-13-5-3-4-6-16(13)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyIPRXPAIWHORSTD-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.72
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (PubChem CID 7833036) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
PubChem CID7833036
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O6/c1-2-25-15-9-7-14(8-10-15)19-17(21)12-26-18(22)11-13-5-3-4-6-16(13)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyIPRXPAIWHORSTD-UHFFFAOYSA-N
XLogP2.72
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.72
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'}

Analyze [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765971
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-nitrophenyl)acetate
CID 2091999
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7832893
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833001
[2-(4-ethoxyanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781677
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616661
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(2-nitrophenyl)acetate
CID 8765931

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (CID 7833036) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate is CCOc1ccc(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The InChIKey is IPRXPAIWHORSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-2-25-15-9-7-14(8-10-15)19-17(21)12-26-18(22)11-13-5-3-4-6-16(13)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate has a molecular weight of 358.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 7833036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).