[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate

C19H17NO4 — CID 8648324

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H17NO4/c21-17(13-24-19(23)15-5-2-1-3-6-15)14-8-10-16(11-9-14)20-12-4-7-18(20)22/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyYMFIPEOSTWKNHD-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.85
Rot. Bonds5

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate (PubChem CID 8648324) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
PubChem CID8648324
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H17NO4/c21-17(13-24-19(23)15-5-2-1-3-6-15)14-8-10-16(11-9-14)20-12-4-7-18(20)22/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyYMFIPEOSTWKNHD-UHFFFAOYSA-N
XLogP2.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-(N-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952974
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46610595

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate (CID 8648324) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate is O=C(COC(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate?
The InChIKey is YMFIPEOSTWKNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(13-24-19(23)15-5-2-1-3-6-15)14-8-10-16(11-9-14)20-12-4-7-18(20)22/h1-3,5-6,8-11H,4,7,12-13H2.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate is sourced from PubChem (CID 8648324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).