ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate

C21H22N2O5 — CID 32621761

IUPACethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H22N2O5/c1-2-27-21(26)15-5-3-6-16(13-15)22-19(24)14-28-18-10-8-17(9-11-18)23-12-4-7-20(23)25/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3,(H,22,24)
InChIKeyDJVAIJXXNFSASS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.01
Rot. Bonds7

About ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate

ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 32621761) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
PubChem CID32621761
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H22N2O5/c1-2-27-21(26)15-5-3-6-16(13-15)22-19(24)14-28-18-10-8-17(9-11-18)23-12-4-7-20(23)25/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3,(H,22,24)
InChIKeyDJVAIJXXNFSASS-UHFFFAOYSA-N
XLogP3.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729283
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
ethyl 3-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]benzoate
CID 19170913
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 35435866
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate (CID 32621761) is ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is DJVAIJXXNFSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-27-21(26)15-5-3-6-16(13-15)22-19(24)14-28-18-10-8-17(9-11-18)23-12-4-7-20(23)25/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3,(H,22,24).
What are the key properties of ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate?
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 382.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 32621761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).