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

C21H20N2O6 — CID 8790295

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C21H20N2O6/c24-18-7-4-12-23(18)19(25)14-28-20(26)13-22-21(27)15-8-10-17(11-9-15)29-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,27)
InChIKeyIBUJDFKJWVBBOH-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.90
Rot. Bonds7

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 8790295) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID8790295
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C21H20N2O6/c24-18-7-4-12-23(18)19(25)14-28-20(26)13-22-21(27)15-8-10-17(11-9-15)29-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,27)
InChIKeyIBUJDFKJWVBBOH-UHFFFAOYSA-N
XLogP1.90
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586
(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-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 2394384
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574538
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843493
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 8790295) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is IBUJDFKJWVBBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c24-18-7-4-12-23(18)19(25)14-28-20(26)13-22-21(27)15-8-10-17(11-9-15)29-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,27).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 396.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 8790295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).