[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate

C21H23NO4 — CID 78818550

IUPAC[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23NO4/c1-2-25-19-10-4-3-7-16(19)12-13-21(24)26-18-9-5-8-17(15-18)22-14-6-11-20(22)23/h3-5,7-10,15H,2,6,11-14H2,1H3
InChIKeyXXWYPMTVSVLMKU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.75
Rot. Bonds7

About [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate

[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 78818550) 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-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID78818550
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23NO4/c1-2-25-19-10-4-3-7-16(19)12-13-21(24)26-18-9-5-8-17(15-18)22-14-6-11-20(22)23/h3-5,7-10,15H,2,6,11-14H2,1H3
InChIKeyXXWYPMTVSVLMKU-UHFFFAOYSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
CID 78895132
[3-(2-oxopyrrolidin-1-yl)phenyl] 4-(4-methylphenyl)butanoate
CID 78895130
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16601162
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550

Frequently Asked Questions

What is the IUPAC name of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate (CID 78818550) is [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)Oc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is XXWYPMTVSVLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-25-19-10-4-3-7-16(19)12-13-21(24)26-18-9-5-8-17(15-18)22-14-6-11-20(22)23/h3-5,7-10,15H,2,6,11-14H2,1H3.
What are the key properties of [3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate?
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 353.42 g/mol, XLogP of 3.75, 7 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-ethoxyphenyl)propanoate is sourced from PubChem (CID 78818550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).