3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

C210H229F4N31O41S — CID 157058205

IUPAC3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
SMILESCC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1.CC[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)c3ccco3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C3CC3)c(=O)c2=O)c1O.C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C24H21N3O5.C24H27N3O4.C23H22N4O4.C23H23N3O4.C22H22FN3O4.C19H16F3N3O4S.3C19H25N3O4.C18H23N3O4/c1-27(2)24(31)15-10-6-11-16(21(15)28)25-19-20(23(30)22(19)29)26-18(17-12-7-13-32-17)14-8-4-3-5-9-14;1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3;1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3;1-26(2)23(30)15-9-6-10-16(20(15)27)24-18-19(22(29)21(18)28)25-17(14-11-12-14)13-7-4-3-5-8-13;1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(19(2,3)4)20-13-14(17(25)16(13)24)21-12-9-7-8-11(15(12)23)18(26)22(5)6;2*1-6-11(4)20-14-15(18(25)17(14)24)21-13-9-7-8-12(16(13)23)19(26)22(5)10(2)3;1-9(2)10(3)19-13-14(17(24)16(13)23)20-12-8-6-7-11(15(12)22)18(25)21(4)5/h3-13,18,25-26,28H,1-2H3;6-14,17,25-26,28H,5H2,1-4H3;5-11,16,25-26,28H,4H2,1-3H3;3-10,14,17,24-25,27H,11-12H2,1-2H3;5-11,15,24-25,27H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;7-10,20-21,23H,1-6H3;2*7-11,20-21,23H,6H2,1-5H3;6-10,19-20,22H,1-5H3/t;17-;16-;17-;15-;;10-;2*11-;10-/m.1101.0100/s1
InChIKeyAAZTZNCVJGYEJQ-ZYFSCYKBSA-N
MW3951.38 g/mol
LogP28.23
Rot. Bonds67

About 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide (PubChem CID 157058205) has the molecular formula C210H229F4N31O41S and a molecular weight of 3951.38 g/mol. Its IUPAC name is 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
PubChem CID157058205
Molecular FormulaC210H229F4N31O41S
Molecular Weight3951.38 g/mol
Exact Mass3948.64
IUPAC Name3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
SMILESCC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1.CC[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)c3ccco3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C3CC3)c(=O)c2=O)c1O.C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C24H21N3O5.C24H27N3O4.C23H22N4O4.C23H23N3O4.C22H22FN3O4.C19H16F3N3O4S.3C19H25N3O4.C18H23N3O4/c1-27(2)24(31)15-10-6-11-16(21(15)28)25-19-20(23(30)22(19)29)26-18(17-12-7-13-32-17)14-8-4-3-5-9-14;1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3;1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3;1-26(2)23(30)15-9-6-10-16(20(15)27)24-18-19(22(29)21(18)28)25-17(14-11-12-14)13-7-4-3-5-8-13;1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(19(2,3)4)20-13-14(17(25)16(13)24)21-12-9-7-8-11(15(12)23)18(26)22(5)6;2*1-6-11(4)20-14-15(18(25)17(14)24)21-13-9-7-8-12(16(13)23)19(26)22(5)10(2)3;1-9(2)10(3)19-13-14(17(24)16(13)23)20-12-8-6-7-11(15(12)22)18(25)21(4)5/h3-13,18,25-26,28H,1-2H3;6-14,17,25-26,28H,5H2,1-4H3;5-11,16,25-26,28H,4H2,1-3H3;3-10,14,17,24-25,27H,11-12H2,1-2H3;5-11,15,24-25,27H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;7-10,20-21,23H,1-6H3;2*7-11,20-21,23H,6H2,1-5H3;6-10,19-20,22H,1-5H3/t;17-;16-;17-;15-;;10-;2*11-;10-/m.1101.0100/s1
InChIKeyAAZTZNCVJGYEJQ-ZYFSCYKBSA-N
XLogP28.23
TPSA1024.33 Ų
H-Bond Donors30
H-Bond Acceptors63
Rotatable Bonds67
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003951.38
LogP ≤ 528.23
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1063

Analyze 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The IUPAC name of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide (CID 157058205) is 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide.
What is the SMILES notation for 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The canonical SMILES for 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide is CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1.CC[C@H](C)Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)c3ccco3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C3CC3)c(=O)c2=O)c1O.C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C.
What is the InChIKey of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The InChIKey is AAZTZNCVJGYEJQ-ZYFSCYKBSA-N. The full InChI is InChI=1S/C24H21N3O5.C24H27N3O4.C23H22N4O4.C23H23N3O4.C22H22FN3O4.C19H16F3N3O4S.3C19H25N3O4.C18H23N3O4/c1-27(2)24(31)15-10-6-11-16(21(15)28)25-19-20(23(30)22(19)29)26-18(17-12-7-13-32-17)14-8-4-3-5-9-14;1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3;1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3;1-26(2)23(30)15-9-6-10-16(20(15)27)24-18-19(22(29)21(18)28)25-17(14-11-12-14)13-7-4-3-5-8-13;1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(19(2,3)4)20-13-14(17(25)16(13)24)21-12-9-7-8-11(15(12)23)18(26)22(5)6;2*1-6-11(4)20-14-15(18(25)17(14)24)21-13-9-7-8-12(16(13)23)19(26)22(5)10(2)3;1-9(2)10(3)19-13-14(17(24)16(13)23)20-12-8-6-7-11(15(12)22)18(25)21(4)5/h3-13,18,25-26,28H,1-2H3;6-14,17,25-26,28H,5H2,1-4H3;5-11,16,25-26,28H,4H2,1-3H3;3-10,14,17,24-25,27H,11-12H2,1-2H3;5-11,15,24-25,27H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;7-10,20-21,23H,1-6H3;2*7-11,20-21,23H,6H2,1-5H3;6-10,19-20,22H,1-5H3/t;17-;16-;17-;15-;;10-;2*11-;10-/m.1101.0100/s1.
What are the key properties of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide has a molecular weight of 3951.38 g/mol, XLogP of 28.23, 67 rotatable bonds, 30 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide is sourced from PubChem (CID 157058205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).