[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate

C21H20N4O4 — CID 8934627

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate
SMILESCCn1nnc2cc(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)ccc21
InChIInChI=1S/C21H20N4O4/c1-2-25-18-10-7-15(12-17(18)22-23-25)21(28)29-13-19(26)14-5-8-16(9-6-14)24-11-3-4-20(24)27/h5-10,12H,2-4,11,13H2,1H3
InChIKeyJPLKSEYNCJEDGX-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.62
Rot. Bonds6

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate (PubChem CID 8934627) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate
PubChem CID8934627
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate
SMILESCCn1nnc2cc(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)ccc21
InChIInChI=1S/C21H20N4O4/c1-2-25-18-10-7-15(12-17(18)22-23-25)21(28)29-13-19(26)14-5-8-16(9-6-14)24-11-3-4-20(24)27/h5-10,12H,2-4,11,13H2,1H3
InChIKeyJPLKSEYNCJEDGX-UHFFFAOYSA-N
XLogP2.62
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
cyanomethyl 1-ethylbenzotriazole-5-carboxylate
CID 7806064
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805894
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8883253
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806027

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate (CID 8934627) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate is CCn1nnc2cc(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)ccc21.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate?
The InChIKey is JPLKSEYNCJEDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-2-25-18-10-7-15(12-17(18)22-23-25)21(28)29-13-19(26)14-5-8-16(9-6-14)24-11-3-4-20(24)27/h5-10,12H,2-4,11,13H2,1H3.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate is sourced from PubChem (CID 8934627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).