4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C170H228N14O25 — CID 165060700

About 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 165060700) has the molecular formula C170H228N14O25 and a molecular weight of 2867.77 g/mol. Its IUPAC name is 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 165060700
• Molecular Formula: C170H228N14O25
• Molecular Weight: 2867.77 g/mol
• Exact Mass: 2865.70
• IUPAC Name: 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCCCOCCOCCOCCCC(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(C#CCCCC(C)(C)C)cccc3C2=O)C(=O)C1.C=C1CCC(N2Cc3c(CCCCCC(C)(C)C)cccc3C2=O)C(=O)C1.C=C1NC(=O)CCC1N1C(=O)c2cccc(OCCCCCC(C)(C)C)c2C1=O.C=C1NC(=O)CCC1N1Cc2c(OCCCCCC(C)(C)C)cccc2C1=O.C=C1c2cccc(CCCCCCC(C)(C)C)c2C(=O)N1C1CCC(=O)NC1=O.C=C1c2cccc(OCC(=O)NCCCCC(C)(C)C)c2C(=O)N1C1CCC(=O)NC1=O
• InChI: InChI=1S/C28H41N3O6.C24H31N3O5.C24H32N2O3.C24H33NO2.C24H29NO2.C23H30N2O4.C23H32N2O3/c1-20-10-11-23(25(32)30-20)31-26(33)21-8-5-9-22(24(21)27(31)34)29-13-7-15-36-17-19-37-18-16-35-14-6-12-28(2,3)4;1-15-16-8-7-9-18(32-14-20(29)25-13-6-5-12-24(2,3)4)21(16)23(31)27(15)17-10-11-19(28)26-22(17)30;1-16-18-12-9-11-17(10-7-5-6-8-15-24(2,3)4)21(18)23(29)26(16)19-13-14-20(27)25-22(19)28;2*1-17-12-13-21(22(26)15-17)25-16-20-18(10-8-11-19(20)23(25)27)9-6-5-7-14-24(2,3)4;1-15-17(11-12-19(26)24-15)25-21(27)16-9-8-10-18(20(16)22(25)28)29-14-7-5-6-13-23(2,3)4;1-16-19(11-12-21(26)24-16)25-15-18-17(22(25)27)9-8-10-20(18)28-14-7-5-6-13-23(2,3)4/h5,8-9,23,29H,1,6-7,10-19H2,2-4H3,(H,30,32);7-9,17H,1,5-6,10-14H2,2-4H3,(H,25,29)(H,26,28,30);9,11-12,19H,1,5-8,10,13-15H2,2-4H3,(H,25,27,28);8,10-11,21H,1,5-7,9,12-16H2,2-4H3;8,10-11,21H,1,5,7,12-16H2,2-4H3;8-10,17H,1,5-7,11-14H2,2-4H3,(H,24,26);8-10,19H,1,5-7,11-15H2,2-4H3,(H,24,26)
• InChIKey: RDOAJGUJXNEPMG-UHFFFAOYSA-N
• XLogP: 29.68
• TPSA: 486.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 53
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.77
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 165060700) is 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCCCOCCOCCOCCCC(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(C#CCCCC(C)(C)C)cccc3C2=O)C(=O)C1.C=C1CCC(N2Cc3c(CCCCCC(C)(C)C)cccc3C2=O)C(=O)C1.C=C1NC(=O)CCC1N1C(=O)c2cccc(OCCCCCC(C)(C)C)c2C1=O.C=C1NC(=O)CCC1N1Cc2c(OCCCCCC(C)(C)C)cccc2C1=O.C=C1c2cccc(CCCCCCC(C)(C)C)c2C(=O)N1C1CCC(=O)NC1=O.C=C1c2cccc(OCC(=O)NCCCCC(C)(C)C)c2C(=O)N1C1CCC(=O)NC1=O.

What is the InChIKey of 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is RDOAJGUJXNEPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O6.C24H31N3O5.C24H32N2O3.C24H33NO2.C24H29NO2.C23H30N2O4.C23H32N2O3/c1-20-10-11-23(25(32)30-20)31-26(33)21-8-5-9-22(24(21)27(31)34)29-13-7-15-36-17-19-37-18-16-35-14-6-12-28(2,3)4;1-15-16-8-7-9-18(32-14-20(29)25-13-6-5-12-24(2,3)4)21(16)23(31)27(15)17-10-11-19(28)26-22(17)30;1-16-18-12-9-11-17(10-7-5-6-8-15-24(2,3)4)21(18)23(29)26(16)19-13-14-20(27)25-22(19)28;2*1-17-12-13-21(22(26)15-17)25-16-20-18(10-8-11-19(20)23(25)27)9-6-5-7-14-24(2,3)4;1-15-17(11-12-19(26)24-15)25-21(27)16-9-8-10-18(20(16)22(25)28)29-14-7-5-6-13-23(2,3)4;1-16-19(11-12-21(26)24-16)25-15-18-17(22(25)27)9-8-10-20(18)28-14-7-5-6-13-23(2,3)4/h5,8-9,23,29H,1,6-7,10-19H2,2-4H3,(H,30,32);7-9,17H,1,5-6,10-14H2,2-4H3,(H,25,29)(H,26,28,30);9,11-12,19H,1,5-8,10,13-15H2,2-4H3,(H,25,27,28);8,10-11,21H,1,5-7,9,12-16H2,2-4H3;8,10-11,21H,1,5,7,12-16H2,2-4H3;8-10,17H,1,5-7,11-14H2,2-4H3,(H,24,26);8-10,19H,1,5-7,11-15H2,2-4H3,(H,24,26).

What are the key properties of 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 2867.77 g/mol, XLogP of 29.68, 53 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)isoindole-1,3-dione;4-(6,6-dimethylheptoxy)-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(6,6-dimethylheptyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;4-(6,6-dimethylhept-1-ynyl)-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;N-(5,5-dimethylhexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyacetamide;3-[4-(7,7-dimethyloctyl)-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione;4-[3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 165060700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).