[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C23H26N2O4 — CID 55422772

IUPAC[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-17(22(27)24-14-13-18-6-3-2-4-7-18)29-23(28)20-11-9-19(10-12-20)16-25-15-5-8-21(25)26/h2-4,6-7,9-12,17H,5,8,13-16H2,1H3,(H,24,27)
InChIKeyGJOXRVLKVYCFCS-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.71
Rot. Bonds8

About [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 55422772) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID55422772
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-17(22(27)24-14-13-18-6-3-2-4-7-18)29-23(28)20-11-9-19(10-12-20)16-25-15-5-8-21(25)26/h2-4,6-7,9-12,17H,5,8,13-16H2,1H3,(H,24,27)
InChIKeyGJOXRVLKVYCFCS-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380243
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 47008497
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305093
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305090
[1-(2-acetylanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 46625675
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 46818787
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 55418362
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383786
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952821
[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380391
[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30811947

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 55422772) is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is CC(OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is GJOXRVLKVYCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-17(22(27)24-14-13-18-6-3-2-4-7-18)29-23(28)20-11-9-19(10-12-20)16-25-15-5-8-21(25)26/h2-4,6-7,9-12,17H,5,8,13-16H2,1H3,(H,24,27).
What are the key properties of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 394.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 55422772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).