[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate

C20H20N4O3 — CID 55640770

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-15-8-10-17(11-9-15)21-19(25)14-27-20(26)18-13-24(23-22-18)12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,21,25)
InChIKeyDRXRFXZXNZNEGW-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.68
Rot. Bonds7

About [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate

[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate (PubChem CID 55640770) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
PubChem CID55640770
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-15-8-10-17(11-9-15)21-19(25)14-27-20(26)18-13-24(23-22-18)12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,21,25)
InChIKeyDRXRFXZXNZNEGW-UHFFFAOYSA-N
XLogP2.68
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640676
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516548
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
[2-(diethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516472
1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
CID 24684976
octyl 1-benzyltriazole-4-carboxylate
CID 132517584
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516989
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55517288
cyanomethyl 1-benzyltriazole-4-carboxylate
CID 31027649
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate (CID 55640770) is [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate is CCc1ccc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The InChIKey is DRXRFXZXNZNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-15-8-10-17(11-9-15)21-19(25)14-27-20(26)18-13-24(23-22-18)12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,21,25).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate is sourced from PubChem (CID 55640770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).