2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

C20H16N2O5 — CID 1300815

IUPAC2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC)C4=O)cc2C1=O
InChIInChI=1S/C20H16N2O5/c1-3-21-17(23)13-7-5-11(9-15(13)19(21)25)27-12-6-8-14-16(10-12)20(26)22(4-2)18(14)24/h5-10H,3-4H2,1-2H3
InChIKeyHQCWUPCMGOSABW-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.71
Rot. Bonds4

About 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (PubChem CID 1300815) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
PubChem CID1300815
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC)C4=O)cc2C1=O
InChIInChI=1S/C20H16N2O5/c1-3-21-17(23)13-7-5-11(9-15(13)19(21)25)27-12-6-8-14-16(10-12)20(26)22(4-2)18(14)24/h5-10H,3-4H2,1-2H3
InChIKeyHQCWUPCMGOSABW-UHFFFAOYSA-N
XLogP2.71
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The IUPAC name of 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (CID 1300815) is 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.
What is the SMILES notation for 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The canonical SMILES for 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC)C4=O)cc2C1=O.
What is the InChIKey of 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The InChIKey is HQCWUPCMGOSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-3-21-17(23)13-7-5-11(9-15(13)19(21)25)27-12-6-8-14-16(10-12)20(26)22(4-2)18(14)24/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione has a molecular weight of 364.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is sourced from PubChem (CID 1300815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).