N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate

C87H91N11O27 — CID 158110663

IUPACN,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate
SMILESC.C=C1CCC(N2C(=O)c3cccc(OCC(=O)N(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)OC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCC)c3C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O5.C18H20N2O5.C17H16N2O6.C17H18N2O5.C16H14N2O6.CH4/c1-10-7-8-12(16(23)19-10)21-17(24)11-5-4-6-13(15(11)18(21)25)26-9-14(22)20(2)3;1-3-24-9-10-25-14-6-4-5-12-15(14)18(23)20(17(12)22)13-8-7-11(2)19-16(13)21;1-9-6-7-11(15(21)18-9)19-16(22)10-4-3-5-12(14(10)17(19)23)25-8-13(20)24-2;1-10-6-7-12(15(20)18-10)19-16(21)11-4-3-5-13(14(11)17(19)22)24-9-8-23-2;1-8-5-6-10(14(21)17-8)18-15(22)9-3-2-4-11(13(9)16(18)23)24-7-12(19)20;/h4-6,12H,1,7-9H2,2-3H3,(H,19,23);4-6,13H,2-3,7-10H2,1H3,(H,19,21);3-5,11H,1,6-8H2,2H3,(H,18,21);3-5,12H,1,6-9H2,2H3,(H,18,20);2-4,10H,1,5-7H2,(H,17,21)(H,19,20);1H4
InChIKeyFQJSODIALBGMIP-UHFFFAOYSA-N
MW1722.73 g/mol
LogP4.93
Rot. Bonds23

About N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate

N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate (PubChem CID 158110663) has the molecular formula C87H91N11O27 and a molecular weight of 1722.73 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate
PubChem CID158110663
Molecular FormulaC87H91N11O27
Molecular Weight1722.73 g/mol
Exact Mass1721.61
IUPAC NameN,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate
SMILESC.C=C1CCC(N2C(=O)c3cccc(OCC(=O)N(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)OC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCC)c3C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O5.C18H20N2O5.C17H16N2O6.C17H18N2O5.C16H14N2O6.CH4/c1-10-7-8-12(16(23)19-10)21-17(24)11-5-4-6-13(15(11)18(21)25)26-9-14(22)20(2)3;1-3-24-9-10-25-14-6-4-5-12-15(14)18(23)20(17(12)22)13-8-7-11(2)19-16(13)21;1-9-6-7-11(15(21)18-9)19-16(22)10-4-3-5-12(14(10)17(19)23)25-8-13(20)24-2;1-10-6-7-12(15(20)18-10)19-16(21)11-4-3-5-13(14(11)17(19)22)24-9-8-23-2;1-8-5-6-10(14(21)17-8)18-15(22)9-3-2-4-11(13(9)16(18)23)24-7-12(19)20;/h4-6,12H,1,7-9H2,2-3H3,(H,19,23);4-6,13H,2-3,7-10H2,1H3,(H,19,21);3-5,11H,1,6-8H2,2H3,(H,18,21);3-5,12H,1,6-9H2,2H3,(H,18,20);2-4,10H,1,5-7H2,(H,17,21)(H,19,20);1H4
InChIKeyFQJSODIALBGMIP-UHFFFAOYSA-N
XLogP4.93
TPSA480.92 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.73
LogP ≤ 54.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate with MolForge

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Related Compounds

4-[[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;4-[[4-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-methyl-3-phenoxyazetidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 157478249
4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(3-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
CID 158606718
3-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperidin-4-yl]acetamide;3-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 158889512
4-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;4-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159624906
4-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 159732133
4-[[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;4-[[4-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-methyl-3-phenoxyazetidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-phenoxyazetidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159911527
3-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperidin-4-yl]acetamide;3-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160957089
4-[[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(ethoxymethyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 161107235
4-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(ethoxymethyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxopiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 161464370
4-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;N-[1-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 161800862
4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
CID 161941530
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;3-[7-[[4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4S)-4-[7-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[[4-(3-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161955752

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate?
The IUPAC name of N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate (CID 158110663) is N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate.
What is the SMILES notation for N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate?
The canonical SMILES for N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate is C.C=C1CCC(N2C(=O)c3cccc(OCC(=O)N(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)OC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOC)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCC)c3C2=O)C(=O)N1.
What is the InChIKey of N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate?
The InChIKey is FQJSODIALBGMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5.C18H20N2O5.C17H16N2O6.C17H18N2O5.C16H14N2O6.CH4/c1-10-7-8-12(16(23)19-10)21-17(24)11-5-4-6-13(15(11)18(21)25)26-9-14(22)20(2)3;1-3-24-9-10-25-14-6-4-5-12-15(14)18(23)20(17(12)22)13-8-7-11(2)19-16(13)21;1-9-6-7-11(15(21)18-9)19-16(22)10-4-3-5-12(14(10)17(19)23)25-8-13(20)24-2;1-10-6-7-12(15(20)18-10)19-16(21)11-4-3-5-13(14(11)17(19)22)24-9-8-23-2;1-8-5-6-10(14(21)17-8)18-15(22)9-3-2-4-11(13(9)16(18)23)24-7-12(19)20;/h4-6,12H,1,7-9H2,2-3H3,(H,19,23);4-6,13H,2-3,7-10H2,1H3,(H,19,21);3-5,11H,1,6-8H2,2H3,(H,18,21);3-5,12H,1,6-9H2,2H3,(H,18,20);2-4,10H,1,5-7H2,(H,17,21)(H,19,20);1H4.
What are the key properties of N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate?
N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate has a molecular weight of 1722.73 g/mol, XLogP of 4.93, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-(2-ethoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane;4-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;methyl 2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetate is sourced from PubChem (CID 158110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).