[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate

C19H24N2O4 — CID 9416191

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H24N2O4/c22-17(13-25-19(24)14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-12-4-7-18(21)23/h8-11,14H,1-7,12-13H2,(H,20,22)
InChIKeyJINTUJYZVUBDGP-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.88
Rot. Bonds5

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate (PubChem CID 9416191) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
PubChem CID9416191
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H24N2O4/c22-17(13-25-19(24)14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-12-4-7-18(21)23/h8-11,14H,1-7,12-13H2,(H,20,22)
InChIKeyJINTUJYZVUBDGP-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate 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-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
CID 8925181
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]benzamide
CID 27696328
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloro-6-fluorobenzoate
CID 9414905

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate (CID 9416191) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate?
The InChIKey is JINTUJYZVUBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(13-25-19(24)14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-12-4-7-18(21)23/h8-11,14H,1-7,12-13H2,(H,20,22).
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate is sourced from PubChem (CID 9416191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).