[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate

C21H23NO4 — CID 78895132

IUPAC[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
SMILESCc1cccc(C)c1OCCC(=O)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23NO4/c1-15-6-3-7-16(2)21(15)25-13-11-20(24)26-18-9-4-8-17(14-18)22-12-5-10-19(22)23/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyKGRNRXRMTHLLIL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.80
Rot. Bonds6

About [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate

[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate (PubChem CID 78895132) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
PubChem CID78895132
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
SMILESCc1cccc(C)c1OCCC(=O)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23NO4/c1-15-6-3-7-16(2)21(15)25-13-11-20(24)26-18-9-4-8-17(14-18)22-12-5-10-19(22)23/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyKGRNRXRMTHLLIL-UHFFFAOYSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate 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

[3-(2-oxopyrrolidin-1-yl)phenyl] 4-(4-methylphenyl)butanoate
CID 78895130
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
CID 78818550
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890

Frequently Asked Questions

What is the IUPAC name of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate?
The IUPAC name of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate (CID 78895132) is [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate.
What is the SMILES notation for [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate?
The canonical SMILES for [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate is Cc1cccc(C)c1OCCC(=O)Oc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate?
The InChIKey is KGRNRXRMTHLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-6-3-7-16(2)21(15)25-13-11-20(24)26-18-9-4-8-17(14-18)22-12-5-10-19(22)23/h3-4,6-9,14H,5,10-13H2,1-2H3.
What are the key properties of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate?
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate has a molecular weight of 353.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate is sourced from PubChem (CID 78895132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).