3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione

C149H175N21O23S3 — CID 157058579

IUPAC3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione
SMILESCC.CC(C)N(C)c1c(Cc2ccccc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccco2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccs2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccncc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccsc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cnccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cncnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ncccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2nccs2)c(=O)c1=O
InChIInChI=1S/C15H17NO2.3C14H16N2O2.3C13H15N3O2.C13H15NO3.2C13H15NO2S.C12H14N2O2S.C2H6/c1-10(2)16(3)13-12(14(17)15(13)18)9-11-7-5-4-6-8-11;1-9(2)16(3)12-11(13(17)14(12)18)8-10-4-6-15-7-5-10;1-9(2)16(3)12-11(13(17)14(12)18)7-10-5-4-6-15-8-10;1-9(2)16(3)12-11(13(17)14(12)18)8-10-6-4-5-7-15-10;1-8(2)16(3)11-10(12(17)13(11)18)4-9-5-14-7-15-6-9;1-8(2)16(3)11-10(12(17)13(11)18)6-9-7-14-4-5-15-9;1-8(2)16(3)11-9(12(17)13(11)18)7-10-14-5-4-6-15-10;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-8(2)14(3)11-10(12(15)13(11)16)6-9-4-5-17-7-9;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-7(2)14(3)10-8(11(15)12(10)16)6-9-13-4-5-17-9;1-2/h4-8,10H,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7H,6H2,1-3H3;1-2H3
InChIKeyABAWPGPPONYNJU-UHFFFAOYSA-N
MW2724.36 g/mol
LogP13.65
Rot. Bonds44

About 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione

3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione (PubChem CID 157058579) has the molecular formula C149H175N21O23S3 and a molecular weight of 2724.36 g/mol. Its IUPAC name is 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione
PubChem CID157058579
Molecular FormulaC149H175N21O23S3
Molecular Weight2724.36 g/mol
Exact Mass2722.23
IUPAC Name3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione
SMILESCC.CC(C)N(C)c1c(Cc2ccccc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccco2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccs2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccncc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccsc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cnccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cncnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ncccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2nccs2)c(=O)c1=O
InChIInChI=1S/C15H17NO2.3C14H16N2O2.3C13H15N3O2.C13H15NO3.2C13H15NO2S.C12H14N2O2S.C2H6/c1-10(2)16(3)13-12(14(17)15(13)18)9-11-7-5-4-6-8-11;1-9(2)16(3)12-11(13(17)14(12)18)8-10-4-6-15-7-5-10;1-9(2)16(3)12-11(13(17)14(12)18)7-10-5-4-6-15-8-10;1-9(2)16(3)12-11(13(17)14(12)18)8-10-6-4-5-7-15-10;1-8(2)16(3)11-10(12(17)13(11)18)4-9-5-14-7-15-6-9;1-8(2)16(3)11-10(12(17)13(11)18)6-9-7-14-4-5-15-9;1-8(2)16(3)11-9(12(17)13(11)18)7-10-14-5-4-6-15-10;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-8(2)14(3)11-10(12(15)13(11)16)6-9-4-5-17-7-9;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-7(2)14(3)10-8(11(15)12(10)16)6-9-13-4-5-17-9;1-2/h4-8,10H,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7H,6H2,1-3H3;1-2H3
InChIKeyABAWPGPPONYNJU-UHFFFAOYSA-N
XLogP13.65
TPSA553.22 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds44
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002724.36
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione with MolForge

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Related Compounds

2-Methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
CID 157462105
2-(4-Ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 157503222
2-Methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157633645
2-[2-[2,7-Bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-(5-thiophen-2-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-[5-(furan-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157917709
6-(Furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 158661928
Methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 159091064
2-Cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 159126812
5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole;4-(furan-2-yl)-2-methyl-1,3-oxazole;5-(furan-3-yl)-2-methyl-1,3-oxazole;methane;2-methyl-4-(1-methylimidazol-2-yl)-1,3-oxazole;2-methyl-4-(1-methylpyrrol-2-yl)-1,3-oxazole;2-methyl-4-(1,3-oxazol-2-yl)-1,3-oxazole;2-methyl-4-(1,3-oxazol-5-yl)-1,3-oxazole;tris(2-methyl-4-phenyl-1,3-oxazole);2-methyl-4-pyrazin-2-yl-1,3-oxazole;tris(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyrimidin-2-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-4-(1,3-thiazol-2-yl)-1,3-oxazole;2-methyl-4-thiophen-2-yl-1,3-oxazole
CID 159266416
6-(3-Fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine
CID 159282181
1-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 159756876
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furan-2-carboxamide;N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide;N-[4-(furan-2-yl)-5-(1,3-thiazole-2-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 159842939
tert-butylbenzene;2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-4H-imidazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);bis(5-tert-butyl-1,2,4-thiadiazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene)
CID 159922113

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione (CID 157058579) is 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione is CC.CC(C)N(C)c1c(Cc2ccccc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccco2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cccs2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccncc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ccsc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cnccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2cncnc2)c(=O)c1=O.CC(C)N(C)c1c(Cc2ncccn2)c(=O)c1=O.CC(C)N(C)c1c(Cc2nccs2)c(=O)c1=O.
What is the InChIKey of 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione?
The InChIKey is ABAWPGPPONYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.3C14H16N2O2.3C13H15N3O2.C13H15NO3.2C13H15NO2S.C12H14N2O2S.C2H6/c1-10(2)16(3)13-12(14(17)15(13)18)9-11-7-5-4-6-8-11;1-9(2)16(3)12-11(13(17)14(12)18)8-10-4-6-15-7-5-10;1-9(2)16(3)12-11(13(17)14(12)18)7-10-5-4-6-15-8-10;1-9(2)16(3)12-11(13(17)14(12)18)8-10-6-4-5-7-15-10;1-8(2)16(3)11-10(12(17)13(11)18)4-9-5-14-7-15-6-9;1-8(2)16(3)11-10(12(17)13(11)18)6-9-7-14-4-5-15-9;1-8(2)16(3)11-9(12(17)13(11)18)7-10-14-5-4-6-15-10;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-8(2)14(3)11-10(12(15)13(11)16)6-9-4-5-17-7-9;1-8(2)14(3)11-10(12(15)13(11)16)7-9-5-4-6-17-9;1-7(2)14(3)10-8(11(15)12(10)16)6-9-13-4-5-17-9;1-2/h4-8,10H,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7H,6H2,1-3H3;1-2H3.
What are the key properties of 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione?
3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione has a molecular weight of 2724.36 g/mol, XLogP of 13.65, 44 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 157058579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).