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

C19H22N2O4 — CID 109009177

IUPACethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-20-15-10-6-5-9-14(15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyGEJJLOVUNLJNPW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.31
Rot. Bonds8

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

ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109009177) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID109009177
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-20-15-10-6-5-9-14(15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyGEJJLOVUNLJNPW-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

ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate (CID 109009177) is ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCC.
What is the InChIKey of ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is GEJJLOVUNLJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-20-15-10-6-5-9-14(15)19(23)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate?
ethyl 2-[[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 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109009177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).