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

C26H24N2O5 — CID 17296591

IUPAC2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(C3CCCC3)C4=O)cc2C(=O)N1C1CCCC1
InChIInChI=1S/C26H24N2O5/c29-23-19-11-9-17(13-21(19)25(31)27(23)15-5-1-2-6-15)33-18-10-12-20-22(14-18)26(32)28(24(20)30)16-7-3-4-8-16/h9-16H,1-8H2
InChIKeyKOUPAKVKGJWNDX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.56
Rot. Bonds4

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

2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (PubChem CID 17296591) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
PubChem CID17296591
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(C3CCCC3)C4=O)cc2C(=O)N1C1CCCC1
InChIInChI=1S/C26H24N2O5/c29-23-19-11-9-17(13-21(19)25(31)27(23)15-5-1-2-6-15)33-18-10-12-20-22(14-18)26(32)28(24(20)30)16-7-3-4-8-16/h9-16H,1-8H2
InChIKeyKOUPAKVKGJWNDX-UHFFFAOYSA-N
XLogP4.56
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.56
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-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The IUPAC name of 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (CID 17296591) is 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.
What is the SMILES notation for 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The canonical SMILES for 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(C3CCCC3)C4=O)cc2C(=O)N1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The InChIKey is KOUPAKVKGJWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-23-19-11-9-17(13-21(19)25(31)27(23)15-5-1-2-6-15)33-18-10-12-20-22(14-18)26(32)28(24(20)30)16-7-3-4-8-16/h9-16H,1-8H2.
What are the key properties of 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione has a molecular weight of 444.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is sourced from PubChem (CID 17296591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).