ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate

C21H24N2O4 — CID 108500021

IUPACethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-8-7-9-15(5-2)18(14)23-20(25)19(24)22-17-12-10-16(11-13-17)21(26)27-6-3/h7-13H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZYDGLHCWILZHNR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.57
Rot. Bonds6

About ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate

ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108500021) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108500021
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-8-7-9-15(5-2)18(14)23-20(25)19(24)22-17-12-10-16(11-13-17)21(26)27-6-3/h7-13H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZYDGLHCWILZHNR-UHFFFAOYSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954236
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
ethyl 4-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108500106
ethyl 4-[[2-(cyanomethylamino)-2-oxoacetyl]amino]benzoate
CID 43469171
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
ethyl 4-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112989351
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[[2-[(4-aminobenzoyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500149
ethyl 4-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]amino]benzoate
CID 2244064
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate (CID 108500021) is ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is ZYDGLHCWILZHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-14-8-7-9-15(5-2)18(14)23-20(25)19(24)22-17-12-10-16(11-13-17)21(26)27-6-3/h7-13H,4-6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate?
ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108500021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).