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

C19H22N2O4 — CID 51178437

IUPACethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C19H22N2O4/c1-3-24-17-8-6-5-7-16(17)21-18(22)13-20-15-11-9-14(10-12-15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyUQOXQDMFHKWGNS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.31
Rot. Bonds8

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

ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 51178437) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID51178437
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C19H22N2O4/c1-3-24-17-8-6-5-7-16(17)21-18(22)13-20-15-11-9-14(10-12-15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyUQOXQDMFHKWGNS-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 54812902
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propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
CID 54817296
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
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N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
CID 156597569
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
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CID 109039451

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate (CID 51178437) is ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is UQOXQDMFHKWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-17-8-6-5-7-16(17)21-18(22)13-20-15-11-9-14(10-12-15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 51178437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).