N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C27H26N2O6 — CID 26662314

IUPACN-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OCC)ccc4OCC)cc3C2=O)cc1
InChIInChI=1S/C27H26N2O6/c1-4-33-19-10-8-18(9-11-19)29-26(31)21-13-7-17(15-22(21)27(29)32)25(30)28-23-16-20(34-5-2)12-14-24(23)35-6-3/h7-16H,4-6H2,1-3H3,(H,28,30)
InChIKeyXYIXCZICKQVOEH-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.94
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26662314) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID26662314
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC NameN-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OCC)ccc4OCC)cc3C2=O)cc1
InChIInChI=1S/C27H26N2O6/c1-4-33-19-10-8-18(9-11-19)29-26(31)21-13-7-17(15-22(21)27(29)32)25(30)28-23-16-20(34-5-2)12-14-24(23)35-6-3/h7-16H,4-6H2,1-3H3,(H,28,30)
InChIKeyXYIXCZICKQVOEH-UHFFFAOYSA-N
XLogP4.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24513787
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
2-(4-ethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26782849
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
N-(3-acetamido-4-fluorophenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55532881
2-(4-ethoxyphenyl)-1,3-dioxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 27741644
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
CID 26702605
2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55962953
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2590106
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24610188

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 26662314) is N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OCC)ccc4OCC)cc3C2=O)cc1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XYIXCZICKQVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-4-33-19-10-8-18(9-11-19)29-26(31)21-13-7-17(15-22(21)27(29)32)25(30)28-23-16-20(34-5-2)12-14-24(23)35-6-3/h7-16H,4-6H2,1-3H3,(H,28,30).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).