[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C21H21NO4 — CID 3342322

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-15-5-7-16(8-6-15)19(23)14-26-21(25)17-9-11-18(12-10-17)22-13-3-4-20(22)24/h5-12H,2-4,13-14H2,1H3
InChIKeyYDHBHBSNILASLV-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.42
Rot. Bonds6

About [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 3342322) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID3342322
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-15-5-7-16(8-6-15)19(23)14-26-21(25)17-9-11-18(12-10-17)22-13-3-4-20(22)24/h5-12H,2-4,13-14H2,1H3
InChIKeyYDHBHBSNILASLV-UHFFFAOYSA-N
XLogP3.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[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
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8950999
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-ethylbenzotriazole-5-carboxylate
CID 8934627
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8883253
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 3342322) is [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is YDHBHBSNILASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-2-15-5-7-16(8-6-15)19(23)14-26-21(25)17-9-11-18(12-10-17)22-13-3-4-20(22)24/h5-12H,2-4,13-14H2,1H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 351.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 3342322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).