[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate

C22H30N2O4 — CID 24567250

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
SMILESO=C(COC(=O)CCCC1CCCCC1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H30N2O4/c25-20(16-28-22(27)13-4-9-17-7-2-1-3-8-17)23-18-10-5-11-19(15-18)24-14-6-12-21(24)26/h5,10-11,15,17H,1-4,6-9,12-14,16H2,(H,23,25)
InChIKeyFJRFWYWVWDAEGX-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.05
Rot. Bonds8

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate (PubChem CID 24567250) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
PubChem CID24567250
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
SMILESO=C(COC(=O)CCCC1CCCCC1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H30N2O4/c25-20(16-28-22(27)13-4-9-17-7-2-1-3-8-17)23-18-10-5-11-19(15-18)24-14-6-12-21(24)26/h5,10-11,15,17H,1-4,6-9,12-14,16H2,(H,23,25)
InChIKeyFJRFWYWVWDAEGX-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065278
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate (CID 24567250) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate is O=C(COC(=O)CCCC1CCCCC1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate?
The InChIKey is FJRFWYWVWDAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-20(16-28-22(27)13-4-9-17-7-2-1-3-8-17)23-18-10-5-11-19(15-18)24-14-6-12-21(24)26/h5,10-11,15,17H,1-4,6-9,12-14,16H2,(H,23,25).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate has a molecular weight of 386.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate is sourced from PubChem (CID 24567250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).