ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate

C20H22N2O5 — CID 2213524

IUPACethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-6-8-16(9-7-15)22-19(24)18(23)21-13-12-14-4-10-17(26-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRUQMWDWJSLPKU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.17
Rot. Bonds7

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

ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate (PubChem CID 2213524) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate
PubChem CID2213524
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-6-8-16(9-7-15)22-19(24)18(23)21-13-12-14-4-10-17(26-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRUQMWDWJSLPKU-UHFFFAOYSA-N
XLogP2.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate (CID 2213524) is ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate?
The InChIKey is XRUQMWDWJSLPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-20(25)15-6-8-16(9-7-15)22-19(24)18(23)21-13-12-14-4-10-17(26-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate?
ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 2213524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).