ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate

C19H16N2O5 — CID 24530050

IUPACethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C19H16N2O5/c1-3-26-19(25)12-4-9-15-16(10-12)18(24)21(17(15)23)14-7-5-13(6-8-14)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyYHWYWMGFSMDFEM-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate

ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 24530050) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID24530050
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Nameethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C19H16N2O5/c1-3-26-19(25)12-4-9-15-16(10-12)18(24)21(17(15)23)14-7-5-13(6-8-14)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyYHWYWMGFSMDFEM-UHFFFAOYSA-N
XLogP2.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
CID 1081964
[2-(cycloheptylamino)-2-oxoethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55304941
(4-acetamidophenyl) 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 19132744
pentyl 4-[5-(4-acetamidophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
CID 3094549
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2589988
1,3-benzothiazol-2-ylmethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2486883
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 3143241
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1009909
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16506172
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 23907240
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55304990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate (CID 24530050) is ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O.
What is the InChIKey of ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is YHWYWMGFSMDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-3-26-19(25)12-4-9-15-16(10-12)18(24)21(17(15)23)14-7-5-13(6-8-14)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate?
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 24530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).