(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate

C17H22N2O5 — CID 2435201

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O5/c1-2-23-14-7-5-13(6-8-14)17(22)18-11-16(21)24-12-15(20)19-9-3-4-10-19/h5-8H,2-4,9-12H2,1H3,(H,18,22)
InChIKeyFOOUOWZQCNTHNF-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.98
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2435201) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2435201
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O5/c1-2-23-14-7-5-13(6-8-14)17(22)18-11-16(21)24-12-15(20)19-9-3-4-10-19/h5-8H,2-4,9-12H2,1H3,(H,18,22)
InChIKeyFOOUOWZQCNTHNF-UHFFFAOYSA-N
XLogP0.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate (CID 2435201) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is FOOUOWZQCNTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-23-14-7-5-13(6-8-14)17(22)18-11-16(21)24-12-15(20)19-9-3-4-10-19/h5-8H,2-4,9-12H2,1H3,(H,18,22).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 334.37 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2435201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).