ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate

C19H18N2O6 — CID 108987542

IUPACethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H18N2O6/c1-3-27-19(25)14-9-4-5-10-15(14)21-17(23)16(22)20-13-8-6-7-12(11-13)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUONKWXOIHRHHHR-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.23
Rot. Bonds5

About ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate

ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108987542) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108987542
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Nameethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H18N2O6/c1-3-27-19(25)14-9-4-5-10-15(14)21-17(23)16(22)20-13-8-6-7-12(11-13)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUONKWXOIHRHHHR-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'}

Analyze ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate 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

ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate
CID 108956352
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-(2-ethoxyprop-2-enoylamino)benzoate
CID 19003897
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (CID 108987542) is ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is UONKWXOIHRHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-27-19(25)14-9-4-5-10-15(14)21-17(23)16(22)20-13-8-6-7-12(11-13)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
ethyl 2-[[2-(3-methoxycarbonylanilino)-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 ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108987542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).