[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

C25H19NO5 — CID 8926233

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H19NO5/c1-16(26-23(28)19-14-8-9-15-20(19)24(26)29)25(30)31-22(18-12-6-3-7-13-18)21(27)17-10-4-2-5-11-17/h2-16,22H,1H3/t16-,22+/m1/s1
InChIKeyTZROBYANRZTSCG-ZHRRBRCNSA-N
MW413.43 g/mol
LogP3.84
Rot. Bonds6

About [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 8926233) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID8926233
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H19NO5/c1-16(26-23(28)19-14-8-9-15-20(19)24(26)29)25(30)31-22(18-12-6-3-7-13-18)21(27)17-10-4-2-5-11-17/h2-16,22H,1H3/t16-,22+/m1/s1
InChIKeyTZROBYANRZTSCG-ZHRRBRCNSA-N
XLogP3.84
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2435251
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 55316869
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597358
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926677
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521664
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521665
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 695300

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 8926233) is [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is C[C@H](C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is TZROBYANRZTSCG-ZHRRBRCNSA-N. The full InChI is InChI=1S/C25H19NO5/c1-16(26-23(28)19-14-8-9-15-20(19)24(26)29)25(30)31-22(18-12-6-3-7-13-18)21(27)17-10-4-2-5-11-17/h2-16,22H,1H3/t16-,22+/m1/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 413.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 8926233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).