4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine

C148H175N11O36 — CID 160923380

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine (PubChem CID 160923380) has the molecular formula C148H175N11O36 and a molecular weight of 2684.07 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
• PubChem CID: 160923380
• Molecular Formula: C148H175N11O36
• Molecular Weight: 2684.07 g/mol
• Exact Mass: 2682.22
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
• SMILES: C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCOCCOCC=O.CC(C)(C)OC(=O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C(=O)CCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)c1ccccc1.CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C46H49N3O8.C25H32N2O8.C25H27NO.C21H24N2O8.C13H11N3O4.C11H20O5.C7H12O2/c1-3-37(32-12-6-4-7-13-32)42(33-14-8-5-9-15-33)35-19-21-36(22-20-35)57-29-26-48(2)41(51)25-28-56-31-30-55-27-11-17-34-16-10-18-38-43(34)46(54)49(45(38)53)39-23-24-40(50)47-44(39)52;1-25(2,3)35-20(29)11-13-34-15-14-33-12-5-7-16-6-4-8-17-21(16)24(32)27(23(17)31)18-9-10-19(28)26-22(18)30;1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2;24-16-7-6-15(19(27)22-16)23-20(28)14-5-1-3-13(18(14)21(23)29)4-2-9-30-11-12-31-10-8-17(25)26;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12;1-5-6(8)9-7(2,3)4/h4-10,12-16,18-22,39H,3,11,17,23-31H2,1-2H3,(H,47,50,52);4,6,8,18H,5,7,9-15H2,1-3H3,(H,26,28,30);4-17,26H,3,18-19H2,1-2H3;1,3,5,15H,2,4,6-12H2,(H,25,26)(H,22,24,27);1-3,8H,4-5,14H2,(H,15,17,18);5H,4,6-9H2,1-3H3;5H,1H2,2-4H3/b42-37-;;25-24-
• InChIKey: SSHZOJDIWKUWJX-CROPQEDKSA-N
• XLogP: 16.45
• TPSA: 618.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 59
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2684.07
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine (CID 160923380) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine is C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCOCCOCC=O.CC(C)(C)OC(=O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C(=O)CCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)c1ccccc1.CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?

The InChIKey is SSHZOJDIWKUWJX-CROPQEDKSA-N. The full InChI is InChI=1S/C46H49N3O8.C25H32N2O8.C25H27NO.C21H24N2O8.C13H11N3O4.C11H20O5.C7H12O2/c1-3-37(32-12-6-4-7-13-32)42(33-14-8-5-9-15-33)35-19-21-36(22-20-35)57-29-26-48(2)41(51)25-28-56-31-30-55-27-11-17-34-16-10-18-38-43(34)46(54)49(45(38)53)39-23-24-40(50)47-44(39)52;1-25(2,3)35-20(29)11-13-34-15-14-33-12-5-7-16-6-4-8-17-21(16)24(32)27(23(17)31)18-9-10-19(28)26-22(18)30;1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2;24-16-7-6-15(19(27)22-16)23-20(28)14-5-1-3-13(18(14)21(23)29)4-2-9-30-11-12-31-10-8-17(25)26;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12;1-5-6(8)9-7(2,3)4/h4-10,12-16,18-22,39H,3,11,17,23-31H2,1-2H3,(H,47,50,52);4,6,8,18H,5,7,9-15H2,1-3H3,(H,26,28,30);4-17,26H,3,18-19H2,1-2H3;1,3,5,15H,2,4,6-12H2,(H,25,26)(H,22,24,27);1-3,8H,4-5,14H2,(H,15,17,18);5H,4,6-9H2,1-3H3;5H,1H2,2-4H3/b42-37-;;25-24-;;;;.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine has a molecular weight of 2684.07 g/mol, XLogP of 16.45, 59 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate;tert-butyl prop-2-enoate;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]-N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide;3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoic acid;2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine is sourced from PubChem (CID 160923380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).