2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate

C21H22N2O5 — CID 55528962

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCN1CCCC1=O
InChIInChI=1S/C21H22N2O5/c24-19-7-4-12-23(19)13-14-27-20(25)15-22-21(26)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,26)
InChIKeyMAFSELSMACGARF-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.37
Rot. Bonds8

About 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate

2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 55528962) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID55528962
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCN1CCCC1=O
InChIInChI=1S/C21H22N2O5/c24-19-7-4-12-23(19)13-14-27-20(25)15-22-21(26)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,26)
InChIKeyMAFSELSMACGARF-UHFFFAOYSA-N
XLogP2.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate (CID 55528962) is 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is MAFSELSMACGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19-7-4-12-23(19)13-14-27-20(25)15-22-21(26)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,26).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 55528962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).