2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C24H24N2O7 — CID 652420

IUPAC2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO
InChIInChI=1S/C24H24N2O7/c27-11-3-1-9-25-21(29)17-7-5-15(13-19(17)23(25)31)33-16-6-8-18-20(14-16)24(32)26(22(18)30)10-2-4-12-28/h5-8,13-14,27-28H,1-4,9-12H2
InChIKeyMTSHJIQHRBZACA-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.22
Rot. Bonds10

About 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 652420) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID652420
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO
InChIInChI=1S/C24H24N2O7/c27-11-3-1-9-25-21(29)17-7-5-15(13-19(17)23(25)31)33-16-6-8-18-20(14-16)24(32)26(22(18)30)10-2-4-12-28/h5-8,13-14,27-28H,1-4,9-12H2
InChIKeyMTSHJIQHRBZACA-UHFFFAOYSA-N
XLogP2.22
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 652420) is 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO.
What is the InChIKey of 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is MTSHJIQHRBZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c27-11-3-1-9-25-21(29)17-7-5-15(13-19(17)23(25)31)33-16-6-8-18-20(14-16)24(32)26(22(18)30)10-2-4-12-28/h5-8,13-14,27-28H,1-4,9-12H2.
What are the key properties of 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 452.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-5-[2-(4-hydroxybutyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).