4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione

C164H186N14O31 — CID 158380339

About 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 158380339) has the molecular formula C164H186N14O31 and a molecular weight of 2849.36 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 158380339
• Molecular Formula: C164H186N14O31
• Molecular Weight: 2849.36 g/mol
• Exact Mass: 2847.34
• IUPAC Name: 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC(C)(NCc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)C(=O)O.CC(C)(O)CNC(=O)c1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CC(C)N(Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1)C(C)C.CN(Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1)C1CCOCC1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCCN5CCCCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CNC5CCOCC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C30H35N3O5.C28H32N2O5.C28H34N2O4.C27H30N2O5.C26H28N2O6.C25H27N3O6/c34-23-12-13-26(27(35)18-23)33-19-25-24(30(33)37)6-4-7-28(25)38-20-21-8-10-22(11-9-21)29(36)31-14-5-17-32-15-2-1-3-16-32;1-29(21-11-13-34-14-12-21)16-19-5-7-20(8-6-19)18-35-27-4-2-3-23-24(27)17-30(28(23)33)25-10-9-22(31)15-26(25)32;1-18(2)29(19(3)4)15-20-8-10-21(11-9-20)17-34-27-7-5-6-23-24(27)16-30(28(23)33)25-13-12-22(31)14-26(25)32;30-21-8-9-24(25(31)14-21)29-16-23-22(27(29)32)2-1-3-26(23)34-17-19-6-4-18(5-7-19)15-28-20-10-12-33-13-11-20;1-26(2,33)15-27-24(31)17-8-6-16(7-9-17)14-34-23-5-3-4-19-20(23)13-28(25(19)32)21-11-10-18(29)12-22(21)30;1-25(2,24(32)33)26-12-15-6-8-16(9-7-15)14-34-20-5-3-4-17-18(20)13-28(23(17)31)19-10-11-21(29)27-22(19)30/h4,6-11,26H,1-3,5,12-20H2,(H,31,36);2-8,21,25H,9-18H2,1H3;5-11,18-19,25H,12-17H2,1-4H3;1-7,20,24,28H,8-17H2;3-9,21,33H,10-15H2,1-2H3,(H,27,31);3-9,19,26H,10-14H2,1-2H3,(H,32,33)(H,27,29,30)
• InChIKey: GVSCKQXACLYCIQ-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 562.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2849.36
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 158380339) is 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC(C)(NCc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)C(=O)O.CC(C)(O)CNC(=O)c1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CC(C)N(Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1)C(C)C.CN(Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1)C1CCOCC1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCCN5CCCCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CNC5CCOCC5)cc4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is GVSCKQXACLYCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O5.C28H32N2O5.C28H34N2O4.C27H30N2O5.C26H28N2O6.C25H27N3O6/c34-23-12-13-26(27(35)18-23)33-19-25-24(30(33)37)6-4-7-28(25)38-20-21-8-10-22(11-9-21)29(36)31-14-5-17-32-15-2-1-3-16-32;1-29(21-11-13-34-14-12-21)16-19-5-7-20(8-6-19)18-35-27-4-2-3-23-24(27)17-30(28(23)33)25-10-9-22(31)15-26(25)32;1-18(2)29(19(3)4)15-20-8-10-21(11-9-20)17-34-27-7-5-6-23-24(27)16-30(28(23)33)25-13-12-22(31)14-26(25)32;30-21-8-9-24(25(31)14-21)29-16-23-22(27(29)32)2-1-3-26(23)34-17-19-6-4-18(5-7-19)15-28-20-10-12-33-13-11-20;1-26(2,33)15-27-24(31)17-8-6-16(7-9-17)14-34-23-5-3-4-19-20(23)13-28(25(19)32)21-11-10-18(29)12-22(21)30;1-25(2,24(32)33)26-12-15-6-8-16(9-7-15)14-34-20-5-3-4-17-18(20)13-28(23(17)31)19-10-11-21(29)27-22(19)30/h4,6-11,26H,1-3,5,12-20H2,(H,31,36);2-8,21,25H,9-18H2,1H3;5-11,18-19,25H,12-17H2,1-4H3;1-7,20,24,28H,8-17H2;3-9,21,33H,10-15H2,1-2H3,(H,27,31);3-9,19,26H,10-14H2,1-2H3,(H,32,33)(H,27,29,30).

What are the key properties of 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione?

4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2849.36 g/mol, XLogP of 19.14, 46 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-hydroxy-2-methylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide;2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methylamino]-2-methylpropanoic acid;4-[7-[[4-[[di(propan-2-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158380339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).