ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate

C19H20N2O5 — CID 108501758

IUPACethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-14-11-9-13(10-12-14)20-17(22)18(23)21-16-8-6-5-7-15(16)19(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFNGQVVJGYSSRGI-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.84
Rot. Bonds6

About ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate

ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108501758) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108501758
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-14-11-9-13(10-12-14)20-17(22)18(23)21-16-8-6-5-7-15(16)19(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFNGQVVJGYSSRGI-UHFFFAOYSA-N
XLogP2.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate (CID 108501758) is ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is FNGQVVJGYSSRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-14-11-9-13(10-12-14)20-17(22)18(23)21-16-8-6-5-7-15(16)19(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate?
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108501758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).