4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C169H194N16O30 — CID 161081757

About 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 161081757) has the molecular formula C169H194N16O30 and a molecular weight of 2929.49 g/mol. Its IUPAC name is 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 161081757
• Molecular Formula: C169H194N16O30
• Molecular Weight: 2929.49 g/mol
• Exact Mass: 2927.41
• IUPAC Name: 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC(C)NCc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CN(CCN1CCOCC1)C(=O)c1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CN(CCN1CCOCC1)Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCCN5CCOCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCN5CCCCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CNC5CCCCC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/2C29H33N3O6.C29H35N3O5.C29H33N3O5.C28H32N2O4.C25H28N2O4/c1-30(11-12-31-13-15-37-16-14-31)28(35)21-7-5-20(6-8-21)19-38-27-4-2-3-23-24(27)18-32(29(23)36)25-10-9-22(33)17-26(25)34;33-22-9-10-25(26(34)17-22)32-18-24-23(29(32)36)3-1-4-27(24)38-19-20-5-7-21(8-6-20)28(35)30-11-2-12-31-13-15-37-16-14-31;1-30(11-12-31-13-15-36-16-14-31)18-21-5-7-22(8-6-21)20-37-28-4-2-3-24-25(28)19-32(29(24)35)26-10-9-23(33)17-27(26)34;33-22-11-12-25(26(34)17-22)32-18-24-23(29(32)36)5-4-6-27(24)37-19-20-7-9-21(10-8-20)28(35)30-13-16-31-14-2-1-3-15-31;31-22-13-14-25(26(32)15-22)30-17-24-23(28(30)33)7-4-8-27(24)34-18-20-11-9-19(10-12-20)16-29-21-5-2-1-3-6-21;1-16(2)26-13-17-6-8-18(9-7-17)15-31-24-5-3-4-20-21(24)14-27(25(20)30)22-11-10-19(28)12-23(22)29/h2-8,25H,9-19H2,1H3;1,3-8,25H,2,9-19H2,(H,30,35);2-8,26H,9-20H2,1H3;4-10,25H,1-3,11-19H2,(H,30,35);4,7-12,21,25,29H,1-3,5-6,13-18H2;3-9,16,22,26H,10-15H2,1-2H3
• InChIKey: UFZSHYPHQZNNMZ-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 528.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 48
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.49
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 161081757) is 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC(C)NCc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CN(CCN1CCOCC1)C(=O)c1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.CN(CCN1CCOCC1)Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCCN5CCOCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCN5CCCCC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CNC5CCCCC5)cc4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is UFZSHYPHQZNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H33N3O6.C29H35N3O5.C29H33N3O5.C28H32N2O4.C25H28N2O4/c1-30(11-12-31-13-15-37-16-14-31)28(35)21-7-5-20(6-8-21)19-38-27-4-2-3-23-24(27)18-32(29(23)36)25-10-9-22(33)17-26(25)34;33-22-9-10-25(26(34)17-22)32-18-24-23(29(32)36)3-1-4-27(24)38-19-20-5-7-21(8-6-20)28(35)30-11-2-12-31-13-15-37-16-14-31;1-30(11-12-31-13-15-36-16-14-31)18-21-5-7-22(8-6-21)20-37-28-4-2-3-24-25(28)19-32(29(24)35)26-10-9-23(33)17-27(26)34;33-22-11-12-25(26(34)17-22)32-18-24-23(29(32)36)5-4-6-27(24)37-19-20-7-9-21(10-8-20)28(35)30-13-16-31-14-2-1-3-15-31;31-22-13-14-25(26(32)15-22)30-17-24-23(28(30)33)7-4-8-27(24)34-18-20-11-9-19(10-12-20)16-29-21-5-2-1-3-6-21;1-16(2)26-13-17-6-8-18(9-7-17)15-31-24-5-3-4-20-21(24)14-27(25(20)30)22-11-10-19(28)12-23(22)29/h2-8,25H,9-19H2,1H3;1,3-8,25H,2,9-19H2,(H,30,35);2-8,26H,9-20H2,1H3;4-10,25H,1-3,11-19H2,(H,30,35);4,7-12,21,25,29H,1-3,5-6,13-18H2;3-9,16,22,26H,10-15H2,1-2H3.

What are the key properties of 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2929.49 g/mol, XLogP of 18.23, 48 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-[(cyclohexylamino)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-methyl-N-(2-morpholin-4-ylethyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-piperidin-1-ylethyl)benzamide;4-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(propan-2-ylamino)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 161081757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).