ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate

C19H20N2O4 — CID 109009916

IUPACethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-19(24)16-6-4-5-7-17(16)20-12-18(23)21-15-10-8-14(9-11-15)13(2)22/h4-11,20H,3,12H2,1-2H3,(H,21,23)
InChIKeyFGIJJLXPOVULEV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds7

About ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate

ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109009916) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
PubChem CID109009916
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-19(24)16-6-4-5-7-17(16)20-12-18(23)21-15-10-8-14(9-11-15)13(2)22/h4-11,20H,3,12H2,1-2H3,(H,21,23)
InChIKeyFGIJJLXPOVULEV-UHFFFAOYSA-N
XLogP3.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
CID 109010741
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
ethyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 109010868
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate (CID 109009916) is ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is FGIJJLXPOVULEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-19(24)16-6-4-5-7-17(16)20-12-18(23)21-15-10-8-14(9-11-15)13(2)22/h4-11,20H,3,12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate?
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109009916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).