methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate

C19H18N2O6 — CID 108500027

IUPACmethyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H18N2O6/c1-3-27-18(24)12-8-10-13(11-9-12)20-16(22)17(23)21-15-7-5-4-6-14(15)19(25)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTUSSRMJAIAOYTK-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108500027) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108500027
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namemethyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H18N2O6/c1-3-27-18(24)12-8-10-13(11-9-12)20-16(22)17(23)21-15-7-5-4-6-14(15)19(25)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTUSSRMJAIAOYTK-UHFFFAOYSA-N
XLogP2.23
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl 2-[[(Z)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]amino]benzoate
CID 108823910
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
ethane;methyl 2-[(4-ethoxycarbonylphenyl)methylcarbamoylamino]benzoate;molecular hydrogen
CID 144718509
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (CID 108500027) is methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is TUSSRMJAIAOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-27-18(24)12-8-10-13(11-9-12)20-16(22)17(23)21-15-7-5-4-6-14(15)19(25)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 370.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108500027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).