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

C19H18N2O6 — CID 108501747

IUPACmethyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H18N2O6/c1-3-27-19(25)13-9-5-7-11-15(13)21-17(23)16(22)20-14-10-6-4-8-12(14)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZRKVCUDKSMMUGT-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.23
Rot. Bonds5

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

methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108501747) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108501747
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namemethyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H18N2O6/c1-3-27-19(25)13-9-5-7-11-15(13)21-17(23)16(22)20-14-10-6-4-8-12(14)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZRKVCUDKSMMUGT-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-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108501953
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate (CID 108501747) is methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is ZRKVCUDKSMMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-27-19(25)13-9-5-7-11-15(13)21-17(23)16(22)20-14-10-6-4-8-12(14)18(24)26-2/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(2-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-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108501747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).