ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate

C19H20N2O5 — CID 109010102

IUPACethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H20N2O5/c1-3-26-19(24)13-8-4-6-10-15(13)20-12-17(22)21-16-11-7-5-9-14(16)18(23)25-2/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyZBULEMNABWYPNW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds7

About ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate

ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109010102) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
PubChem CID109010102
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H20N2O5/c1-3-26-19(24)13-8-4-6-10-15(13)20-12-17(22)21-16-11-7-5-9-14(16)18(23)25-2/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyZBULEMNABWYPNW-UHFFFAOYSA-N
XLogP2.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-(propanoylamino)benzoate
CID 4190428
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate (CID 109010102) is ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is ZBULEMNABWYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-26-19(24)13-8-4-6-10-15(13)20-12-17(22)21-16-11-7-5-9-14(16)18(23)25-2/h4-11,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate?
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109010102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).