ethyl 2-(4-ethoxyanilino)-2-oxoacetate

C12H15NO4 — CID 2204010

IUPACethyl 2-(4-ethoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-5-9(6-8-10)13-11(14)12(15)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyOBCOUMMVQFTMLX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds4

About ethyl 2-(4-ethoxyanilino)-2-oxoacetate

ethyl 2-(4-ethoxyanilino)-2-oxoacetate (PubChem CID 2204010) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyanilino)-2-oxoacetate
PubChem CID2204010
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(4-ethoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-5-9(6-8-10)13-11(14)12(15)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyOBCOUMMVQFTMLX-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
CID 619853
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-ethoxyanilino)-2-oxoacetate (CID 2204010) is ethyl 2-(4-ethoxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-ethoxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-ethoxyanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxyanilino)-2-oxoacetate?
The InChIKey is OBCOUMMVQFTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-10-7-5-9(6-8-10)13-11(14)12(15)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(4-ethoxyanilino)-2-oxoacetate?
ethyl 2-(4-ethoxyanilino)-2-oxoacetate has a molecular weight of 237.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyanilino)-2-oxoacetate is sourced from PubChem (CID 2204010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).