[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C24H26N2O4 — CID 7735914

IUPAC[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H26N2O4/c27-21-9-6-16-26(21)17-18-10-12-20(13-11-18)24(29)30-22(19-7-2-1-3-8-19)23(28)25-14-4-5-15-25/h1-3,7-8,10-13,22H,4-6,9,14-17H2/t22-/m1/s1
InChIKeyMZYAREVWXXRUGQ-JOCHJYFZSA-N
MW406.48 g/mol
LogP3.33
Rot. Bonds6

About [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7735914) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7735914
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H26N2O4/c27-21-9-6-16-26(21)17-18-10-12-20(13-11-18)24(29)30-22(19-7-2-1-3-8-19)23(28)25-14-4-5-15-25/h1-3,7-8,10-13,22H,4-6,9,14-17H2/t22-/m1/s1
InChIKeyMZYAREVWXXRUGQ-JOCHJYFZSA-N
XLogP3.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380243
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55422772
[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491563
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7735914) is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is MZYAREVWXXRUGQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-21-9-6-16-26(21)17-18-10-12-20(13-11-18)24(29)30-22(19-7-2-1-3-8-19)23(28)25-14-4-5-15-25/h1-3,7-8,10-13,22H,4-6,9,14-17H2/t22-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 406.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).