5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione

C28H30N2O5 — CID 58855099

IUPAC5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCC1CC(C)(C)CC(C)(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)C1
InChIInChI=1S/C28H30N2O5/c1-16-12-27(2,3)14-28(4,13-16)15-30-25(33)20-9-7-18(11-22(20)26(30)34)35-17-6-8-19-21(10-17)24(32)29(5)23(19)31/h6-11,16H,12-15H2,1-5H3
InChIKeyLXASZACXVZGLQZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.15
Rot. Bonds4

About 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione

5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione (PubChem CID 58855099) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione
PubChem CID58855099
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCC1CC(C)(C)CC(C)(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)C1
InChIInChI=1S/C28H30N2O5/c1-16-12-27(2,3)14-28(4,13-16)15-30-25(33)20-9-7-18(11-22(20)26(30)34)35-17-6-8-19-21(10-17)24(32)29(5)23(19)31/h6-11,16H,12-15H2,1-5H3
InChIKeyLXASZACXVZGLQZ-UHFFFAOYSA-N
XLogP5.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-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 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione (CID 58855099) is 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione is CC1CC(C)(C)CC(C)(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)C1.
What is the InChIKey of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The InChIKey is LXASZACXVZGLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-16-12-27(2,3)14-28(4,13-16)15-30-25(33)20-9-7-18(11-22(20)26(30)34)35-17-6-8-19-21(10-17)24(32)29(5)23(19)31/h6-11,16H,12-15H2,1-5H3.
What are the key properties of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione has a molecular weight of 474.56 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).