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

C22H24N2O5 — CID 46669351

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C22H24N2O5/c1-15-9-11-17(12-10-15)29-16(2)22(27)28-14-20(25)23-18-6-3-4-7-19(18)24-13-5-8-21(24)26/h3-4,6-7,9-12,16H,5,8,13-14H2,1-2H3,(H,23,25)
InChIKeyUKYLBPFBNHPAHU-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.07
Rot. Bonds7

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

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate (PubChem CID 46669351) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate
PubChem CID46669351
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C22H24N2O5/c1-15-9-11-17(12-10-15)29-16(2)22(27)28-14-20(25)23-18-6-3-4-7-19(18)24-13-5-8-21(24)26/h3-4,6-7,9-12,16H,5,8,13-14H2,1-2H3,(H,23,25)
InChIKeyUKYLBPFBNHPAHU-UHFFFAOYSA-N
XLogP3.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55936226
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55936058
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoate
CID 24565260
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
[2-(2-methylanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8985000
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate (CID 46669351) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is UKYLBPFBNHPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15-9-11-17(12-10-15)29-16(2)22(27)28-14-20(25)23-18-6-3-4-7-19(18)24-13-5-8-21(24)26/h3-4,6-7,9-12,16H,5,8,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 396.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 46669351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).