1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione

C26H22N2O7 — CID 91417553

IUPAC1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione
SMILESCCON1C(=O)C=CC1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C20H15NO4.C6H7NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;1-2-10-7-5(8)3-4-6(7)9/h2-11H,12H2,1H3;3-4H,2H2,1H3
InChIKeyUAVANFPAVYVCLJ-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.44
Rot. Bonds6

About 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione

1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione (PubChem CID 91417553) has the molecular formula C26H22N2O7 and a molecular weight of 474.47 g/mol. Its IUPAC name is 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione
PubChem CID91417553
Molecular FormulaC26H22N2O7
Molecular Weight474.47 g/mol
Exact Mass474.14
IUPAC Name1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione
SMILESCCON1C(=O)C=CC1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C20H15NO4.C6H7NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;1-2-10-7-5(8)3-4-6(7)9/h2-11H,12H2,1H3;3-4H,2H2,1H3
InChIKeyUAVANFPAVYVCLJ-UHFFFAOYSA-N
XLogP3.44
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione with MolForge

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 49787660
2-Benzyl-5-methoxybenzo[f]isoindole-1,3-dione
CID 155511597
5-Methoxy-2-[(4-methoxyphenyl)methyl]benzo[f]isoindole-1,3-dione
CID 155529887
2-Tert-butyl-5-methoxybenzo[f]isoindole-1,3-dione
CID 155538416
5-Methoxy-2-[(2-methoxyphenyl)methyl]benzo[f]isoindole-1,3-dione
CID 155558374
2-((4-Methoxybenzyl)oxy)isoindoline-1,3-dione
CID 717891
1,3-Dioxoisoindolin-2-yl 4-methoxybenzoate
CID 742613
6,7-Dimethoxy-2-methyl-4-(3,4,5-trimethoxy-phenyl)-benzo[f]isoindole-1,3-dione
CID 10550927
5-Methoxy-2-[(4-methylphenyl)methyl]benzo[f]isoindole-1,3-dione
CID 155552666
1,3-Dioxoisoindolin-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 142436804
1,3-Dioxoisoindolin-2-yl 4-(4-methoxyphenyl)butanoate
CID 165979848
(6-Methoxynaphthalen-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 25594015

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione (CID 91417553) is 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione is CCON1C(=O)C=CC1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.
What is the InChIKey of 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione?
The InChIKey is UAVANFPAVYVCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4.C6H7NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;1-2-10-7-5(8)3-4-6(7)9/h2-11H,12H2,1H3;3-4H,2H2,1H3.
What are the key properties of 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione?
1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione has a molecular weight of 474.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 91417553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).