(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

C26H21NO5 — CID 55375209

IUPAC(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C26H21NO5/c1-17-12-13-20-21(16-17)26(31)27(25(20)30)15-14-22(28)32-24(19-10-6-3-7-11-19)23(29)18-8-4-2-5-9-18/h2-13,16,24H,14-15H2,1H3
InChIKeyOEPXWDAHXBLNMH-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.15
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 55375209) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
PubChem CID55375209
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C26H21NO5/c1-17-12-13-20-21(16-17)26(31)27(25(20)30)15-14-22(28)32-24(19-10-6-3-7-11-19)23(29)18-8-4-2-5-9-18/h2-13,16,24H,14-15H2,1H3
InChIKeyOEPXWDAHXBLNMH-UHFFFAOYSA-N
XLogP4.15
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.15
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

(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816779
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[3-[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126184956
[(E)-3-phenylprop-2-enyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816496
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46625480
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42922369
1,3-benzothiazol-2-ylmethyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 30392200

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (CID 55375209) is (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is Cc1ccc2c(c1)C(=O)N(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)C2=O.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is OEPXWDAHXBLNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-17-12-13-20-21(16-17)26(31)27(25(20)30)15-14-22(28)32-24(19-10-6-3-7-11-19)23(29)18-8-4-2-5-9-18/h2-13,16,24H,14-15H2,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 427.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 55375209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).