[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C25H20N2O5 — CID 55467802

IUPAC[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O5/c28-22(26(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18)17-32-23(29)16-27-24(30)20-13-7-8-14-21(20)25(27)31/h1-14H,15-17H2
InChIKeyYEBAREWGUIFLOZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.06
Rot. Bonds7

About [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 55467802) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID55467802
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O5/c28-22(26(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18)17-32-23(29)16-27-24(30)20-13-7-8-14-21(20)25(27)31/h1-14H,15-17H2
InChIKeyYEBAREWGUIFLOZ-UHFFFAOYSA-N
XLogP3.06
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate with MolForge

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Related Compounds

ethyl 2-[benzyl-[2-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2390390
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 1177159
2-(2-aminoethoxy)-N-benzyl-N-phenylacetamide
CID 79480179
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 55323049
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 46613597
[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792320
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16579559
2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 47093930

Frequently Asked Questions

What is the IUPAC name of [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 55467802) is [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is YEBAREWGUIFLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-22(26(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18)17-32-23(29)16-27-24(30)20-13-7-8-14-21(20)25(27)31/h1-14H,15-17H2.
What are the key properties of [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 428.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 55467802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).