3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane

C150H254BrN31O45 — CID 163912121

IUPAC3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane
SMILESC.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-].CCOC(=O)CCCCCBr.CCOC(=O)CCCCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C.CCOC(=O)CCCCCNCCOCCOCCOCCN=[N+]=[N-].Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C32H47N7O9.C32H49N5O9.C21H40N4O7.C19H36N4O7.C16H32N4O5.C13H13N3O3.C8H15BrO2.C8H18N4O3.CH4/c1-32(2,3)48-31(44)38(15-17-46-19-21-47-20-18-45-16-13-34-37-33)14-6-4-5-10-27(40)35-25-9-7-8-23-24(25)22-39(30(23)43)26-11-12-28(41)36-29(26)42;1-32(2,3)46-31(42)36(15-17-44-19-21-45-20-18-43-16-13-33)14-6-4-5-10-27(38)34-25-9-7-8-23-24(25)22-37(30(23)41)26-11-12-28(39)35-29(26)40;1-5-31-19(26)9-7-6-8-11-25(20(27)32-21(2,3)4)12-14-29-16-18-30-17-15-28-13-10-23-24-22;1-19(2,3)30-18(26)23(9-6-4-5-7-17(24)25)10-12-28-14-16-29-15-13-27-11-8-21-22-20;1-2-25-16(21)6-4-3-5-7-18-8-10-22-12-14-24-15-13-23-11-9-19-20-17;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-11-8(10)6-4-3-5-7-9;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;/h7-9,26H,4-6,10-22H2,1-3H3,(H,35,40)(H,36,41,42);7-9,26H,4-6,10-22,33H2,1-3H3,(H,34,38)(H,35,39,40);5-18H2,1-4H3;4-16H2,1-3H3,(H,24,25);18H,2-15H2,1H3;1-3,10H,4-6,14H2,(H,15,17,18);2-7H2,1H3;1-9H2;1H4
InChIKeyQTABCDLTJZDXJI-UHFFFAOYSA-N
MW3291.76 g/mol
LogP18.21
Rot. Bonds113

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane (PubChem CID 163912121) has the molecular formula C150H254BrN31O45 and a molecular weight of 3291.76 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane.

Molecular Properties

Compound Name3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane
PubChem CID163912121
Molecular FormulaC150H254BrN31O45
Molecular Weight3291.76 g/mol
Exact Mass3288.77
IUPAC Name3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane
SMILESC.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-].CCOC(=O)CCCCCBr.CCOC(=O)CCCCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C.CCOC(=O)CCCCCNCCOCCOCCOCCN=[N+]=[N-].Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C32H47N7O9.C32H49N5O9.C21H40N4O7.C19H36N4O7.C16H32N4O5.C13H13N3O3.C8H15BrO2.C8H18N4O3.CH4/c1-32(2,3)48-31(44)38(15-17-46-19-21-47-20-18-45-16-13-34-37-33)14-6-4-5-10-27(40)35-25-9-7-8-23-24(25)22-39(30(23)43)26-11-12-28(41)36-29(26)42;1-32(2,3)46-31(42)36(15-17-44-19-21-45-20-18-43-16-13-33)14-6-4-5-10-27(38)34-25-9-7-8-23-24(25)22-37(30(23)41)26-11-12-28(39)35-29(26)40;1-5-31-19(26)9-7-6-8-11-25(20(27)32-21(2,3)4)12-14-29-16-18-30-17-15-28-13-10-23-24-22;1-19(2,3)30-18(26)23(9-6-4-5-7-17(24)25)10-12-28-14-16-29-15-13-27-11-8-21-22-20;1-2-25-16(21)6-4-3-5-7-18-8-10-22-12-14-24-15-13-23-11-9-19-20-17;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-11-8(10)6-4-3-5-7-9;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;/h7-9,26H,4-6,10-22H2,1-3H3,(H,35,40)(H,36,41,42);7-9,26H,4-6,10-22,33H2,1-3H3,(H,34,38)(H,35,39,40);5-18H2,1-4H3;4-16H2,1-3H3,(H,24,25);18H,2-15H2,1H3;1-3,10H,4-6,14H2,(H,15,17,18);2-7H2,1H3;1-9H2;1H4
InChIKeyQTABCDLTJZDXJI-UHFFFAOYSA-N
XLogP18.21
TPSA992.03 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds113
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003291.76
LogP ≤ 518.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane with MolForge

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Launch Full Analysis

Related Compounds

lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate
CID 163982676
tert-butyl N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]carbamate
CID 162489375
tert-butyl N-[2-(2-aminoethoxy)ethyl]-N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162489460
tert-butyl N-(3-aminopropyl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-7-oxoheptyl]carbamate
CID 162489649
tert-butyl N-(2-azidoethyl)-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]carbamate
CID 162489607
3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 155292305
tert-butyl N-[1-[2-(2-azidoethoxy)ethoxy]-3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]propan-2-yl]carbamate
CID 168833011
tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate
CID 162489568
1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]urea
CID 169161518
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]-N-(2-propoxyethyl)carbamate
CID 166714911
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]carbamate
CID 168832876
tert-butyl N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynyl]carbamate
CID 162489446

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane?
The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane (CID 163912121) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane.
What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane?
The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane is C.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN.CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-].CCOC(=O)CCCCCBr.CCOC(=O)CCCCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C.CCOC(=O)CCCCCNCCOCCOCCOCCN=[N+]=[N-].Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCCOCCN.
What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane?
The InChIKey is QTABCDLTJZDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N7O9.C32H49N5O9.C21H40N4O7.C19H36N4O7.C16H32N4O5.C13H13N3O3.C8H15BrO2.C8H18N4O3.CH4/c1-32(2,3)48-31(44)38(15-17-46-19-21-47-20-18-45-16-13-34-37-33)14-6-4-5-10-27(40)35-25-9-7-8-23-24(25)22-39(30(23)43)26-11-12-28(41)36-29(26)42;1-32(2,3)46-31(42)36(15-17-44-19-21-45-20-18-43-16-13-33)14-6-4-5-10-27(38)34-25-9-7-8-23-24(25)22-37(30(23)41)26-11-12-28(39)35-29(26)40;1-5-31-19(26)9-7-6-8-11-25(20(27)32-21(2,3)4)12-14-29-16-18-30-17-15-28-13-10-23-24-22;1-19(2,3)30-18(26)23(9-6-4-5-7-17(24)25)10-12-28-14-16-29-15-13-27-11-8-21-22-20;1-2-25-16(21)6-4-3-5-7-18-8-10-22-12-14-24-15-13-23-11-9-19-20-17;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-11-8(10)6-4-3-5-7-9;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;/h7-9,26H,4-6,10-22H2,1-3H3,(H,35,40)(H,36,41,42);7-9,26H,4-6,10-22,33H2,1-3H3,(H,34,38)(H,35,39,40);5-18H2,1-4H3;4-16H2,1-3H3,(H,24,25);18H,2-15H2,1H3;1-3,10H,4-6,14H2,(H,15,17,18);2-7H2,1H3;1-9H2;1H4.
What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane?
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane has a molecular weight of 3291.76 g/mol, XLogP of 18.21, 113 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane is sourced from PubChem (CID 163912121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).