4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride

C144H136ClN7O27 — CID 157090287

About 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride

4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride (PubChem CID 157090287) has the molecular formula C144H136ClN7O27 and a molecular weight of 2432.15 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride
• PubChem CID: 157090287
• Molecular Formula: C144H136ClN7O27
• Molecular Weight: 2432.15 g/mol
• Exact Mass: 2429.92
• IUPAC Name: 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride
• SMILES: C=C1CCC(N2C(=O)c3cccc(OC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OCCN(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5ccccc5c4)c3C2=O)C(=O)C1.Cl
• InChI: InChI=1S/C26H25NO4.C26H27NO4.C25H26N2O5.C25H23NO4.C25H19NO4.C17H15NO6.ClH/c1-16-9-12-21(22(28)13-16)27-25(29)20-7-4-8-23(24(20)26(27)30)31-15-17-10-11-18-5-2-3-6-19(18)14-17;1-5-26(3,4)17-10-12-18(13-11-17)31-22-8-6-7-19-23(22)25(30)27(24(19)29)20-14-9-16(2)15-21(20)28;1-16-7-12-20(21(28)15-16)27-24(29)19-5-4-6-22(23(19)25(27)30)32-18-10-8-17(9-11-18)31-14-13-26(2)3;2*1-15-9-12-20(21(27)13-15)26-24(28)19-7-4-8-22(23(19)25(26)29)30-18-11-10-16-5-2-3-6-17(16)14-18;1-9-5-6-11(12(19)7-9)18-16(22)10-3-2-4-13(15(10)17(18)23)24-8-14(20)21;/h2-8,17,21H,1,9-15H2;6-8,10-13,20H,2,5,9,14-15H2,1,3-4H3;4-6,8-11,20H,1,7,12-15H2,2-3H3;2-8,18,20H,1,9-14H2;2-8,10-11,14,20H,1,9,12-13H2;2-4,11H,1,5-8H2,(H,20,21);1H
• InChIKey: ZLFUEOJSMSRXOG-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 431.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.15
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride?

The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride (CID 157090287) is 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride.

What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride?

The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride is C=C1CCC(N2C(=O)c3cccc(OC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OCCN(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5ccccc5c4)c3C2=O)C(=O)C1.Cl.

What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride?

The InChIKey is ZLFUEOJSMSRXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4.C26H27NO4.C25H26N2O5.C25H23NO4.C25H19NO4.C17H15NO6.ClH/c1-16-9-12-21(22(28)13-16)27-25(29)20-7-4-8-23(24(20)26(27)30)31-15-17-10-11-18-5-2-3-6-19(18)14-17;1-5-26(3,4)17-10-12-18(13-11-17)31-22-8-6-7-19-23(22)25(30)27(24(19)29)20-14-9-16(2)15-21(20)28;1-16-7-12-20(21(28)15-16)27-24(29)19-5-4-6-22(23(19)25(27)30)32-18-10-8-17(9-11-18)31-14-13-26(2)3;2*1-15-9-12-20(21(27)13-15)26-24(28)19-7-4-8-22(23(19)25(26)29)30-18-11-10-16-5-2-3-6-17(16)14-18;1-9-5-6-11(12(19)7-9)18-16(22)10-3-2-4-13(15(10)17(18)23)24-8-14(20)21;/h2-8,17,21H,1,9-15H2;6-8,10-13,20H,2,5,9,14-15H2,1,3-4H3;4-6,8-11,20H,1,7,12-15H2,2-3H3;2-8,18,20H,1,9-14H2;2-8,10-11,14,20H,1,9,12-13H2;2-4,11H,1,5-8H2,(H,20,21);1H.

What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride?

4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride has a molecular weight of 2432.15 g/mol, XLogP of 23.93, 26 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-(4-methylidene-2-oxocyclohexyl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 157090287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).