2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

C28H28N2O5 — CID 66636725

IUPAC2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc4c3C(=O)N(C3CCCCC3)C4=O)cc2C(=O)N1C1CCCCC1
InChIInChI=1S/C28H28N2O5/c31-25-20-15-14-19(16-22(20)27(33)29(25)17-8-3-1-4-9-17)35-23-13-7-12-21-24(23)28(34)30(26(21)32)18-10-5-2-6-11-18/h7,12-18H,1-6,8-11H2
InChIKeyCRWHAQXUHHSLQC-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.34
Rot. Bonds4

About 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (PubChem CID 66636725) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
PubChem CID66636725
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc4c3C(=O)N(C3CCCCC3)C4=O)cc2C(=O)N1C1CCCCC1
InChIInChI=1S/C28H28N2O5/c31-25-20-15-14-19(16-22(20)27(33)29(25)17-8-3-1-4-9-17)35-23-13-7-12-21-24(23)28(34)30(26(21)32)18-10-5-2-6-11-18/h7,12-18H,1-6,8-11H2
InChIKeyCRWHAQXUHHSLQC-UHFFFAOYSA-N
XLogP5.34
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (CID 66636725) is 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is O=C1c2ccc(Oc3cccc4c3C(=O)N(C3CCCCC3)C4=O)cc2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The InChIKey is CRWHAQXUHHSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c31-25-20-15-14-19(16-22(20)27(33)29(25)17-8-3-1-4-9-17)35-23-13-7-12-21-24(23)28(34)30(26(21)32)18-10-5-2-6-11-18/h7,12-18H,1-6,8-11H2.
What are the key properties of 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione has a molecular weight of 472.54 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is sourced from PubChem (CID 66636725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).