[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C25H19NO5 — CID 2926195

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCc1ccc(C(=O)C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C25H19NO5/c1-16-11-13-17(14-12-16)22(28)23(18-7-3-2-4-8-18)31-21(27)15-26-24(29)19-9-5-6-10-20(19)25(26)30/h2-14,23H,15H2,1H3
InChIKeyACBNTTVBYNHSID-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.76
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2926195) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2926195
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCc1ccc(C(=O)C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C25H19NO5/c1-16-11-13-17(14-12-16)22(28)23(18-7-3-2-4-8-18)31-21(27)15-26-24(29)19-9-5-6-10-20(19)25(26)30/h2-14,23H,15H2,1H3
InChIKeyACBNTTVBYNHSID-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2926195) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is Cc1ccc(C(=O)C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is ACBNTTVBYNHSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c1-16-11-13-17(14-12-16)22(28)23(18-7-3-2-4-8-18)31-21(27)15-26-24(29)19-9-5-6-10-20(19)25(26)30/h2-14,23H,15H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 413.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 2926195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).