[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

C24H25NO5 — CID 9128794

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C24H25NO5/c1-16-5-6-19(14-17(16)2)21(26)11-12-24(29)30-15-22(27)18-7-9-20(10-8-18)25-13-3-4-23(25)28/h5-10,14H,3-4,11-13,15H2,1-2H3
InChIKeyBBFHESDTCHNLKR-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.82
Rot. Bonds8

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate (PubChem CID 9128794) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
PubChem CID9128794
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C24H25NO5/c1-16-5-6-19(14-17(16)2)21(26)11-12-24(29)30-15-22(27)18-7-9-20(10-8-18)25-13-3-4-23(25)28/h5-10,14H,3-4,11-13,15H2,1-2H3
InChIKeyBBFHESDTCHNLKR-UHFFFAOYSA-N
XLogP3.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
CID 48824060
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9380048
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate (CID 9128794) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1C.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The InChIKey is BBFHESDTCHNLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-5-6-19(14-17(16)2)21(26)11-12-24(29)30-15-22(27)18-7-9-20(10-8-18)25-13-3-4-23(25)28/h5-10,14H,3-4,11-13,15H2,1-2H3.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate has a molecular weight of 407.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate is sourced from PubChem (CID 9128794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).