methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate

C17H16N2O4 — CID 108512391

IUPACmethyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-19(12-8-4-3-5-9-12)16(21)15(20)18-14-11-7-6-10-13(14)17(22)23-2/h3-11H,1-2H3,(H,18,20)
InChIKeyJZFGDFLZOQELRT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108512391) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108512391
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-19(12-8-4-3-5-9-12)16(21)15(20)18-14-11-7-6-10-13(14)17(22)23-2/h3-11H,1-2H3,(H,18,20)
InChIKeyJZFGDFLZOQELRT-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.07
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

methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512455
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
methyl 2-[(4-hydroxy-2-oxo-4-phenylbut-3-enoyl)amino]benzoate
CID 908598
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate (CID 108512391) is methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is JZFGDFLZOQELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19(12-8-4-3-5-9-12)16(21)15(20)18-14-11-7-6-10-13(14)17(22)23-2/h3-11H,1-2H3,(H,18,20).
What are the key properties of methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 312.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).