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

C27H24N2O5 — CID 46610595

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H24N2O5/c30-24(20-12-14-21(15-13-20)29-16-6-11-26(29)32)18-34-27(33)22-9-4-5-10-23(22)28-25(31)17-19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,31)
InChIKeyFBNZYFHJNQFUOM-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.03
Rot. Bonds8

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

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 46610595) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
PubChem CID46610595
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H24N2O5/c30-24(20-12-14-21(15-13-20)29-16-6-11-26(29)32)18-34-27(33)22-9-4-5-10-23(22)28-25(31)17-19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,31)
InChIKeyFBNZYFHJNQFUOM-UHFFFAOYSA-N
XLogP4.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[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-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate (CID 46610595) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate is O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is FBNZYFHJNQFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c30-24(20-12-14-21(15-13-20)29-16-6-11-26(29)32)18-34-27(33)22-9-4-5-10-23(22)28-25(31)17-19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,31).
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 456.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 46610595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).