3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide

C165H182F3N31O36S2 — CID 158892582

About 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide

3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide (PubChem CID 158892582) has the molecular formula C165H182F3N31O36S2 and a molecular weight of 3296.58 g/mol. Its IUPAC name is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide
• PubChem CID: 158892582
• Molecular Formula: C165H182F3N31O36S2
• Molecular Weight: 3296.58 g/mol
• Exact Mass: 3294.28
• IUPAC Name: 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide
• SMILES: CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4cccc[n+]4[O-])CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2nn(C)c(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2nn(C)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.C[C@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C
• InChI: InChI=1S/C25H29N5O5.C23H23N3O6.C23H25N3O5.C20H23N5O4.C20H24N4O4.C19H16F3N3O4S.C19H19N3O4S.C16H23N5O4/c1-15(2)16(3)26-20-21(24(33)23(20)32)27-18-8-6-7-17(22(18)31)25(34)29-13-11-28(12-14-29)19-9-4-5-10-30(19)35;1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3;1-5-16(13-9-11-14(31-4)12-10-13)24-18-19(22(29)21(18)28)25-17-8-6-7-15(20(17)27)23(30)26(2)3;1-5-12(11-9-7-6-8-10-11)21-13-14(17(27)16(13)26)22-19-18(28)15(25(4)23-19)20(29)24(2)3;1-10(20(2,3)4)22-14-15(18(27)17(14)26)23-13-8-11(9-21)7-12(16(13)25)19(28)24(5)6;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(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3;1-7(2)8(3)17-9-10(13(23)12(9)22)18-15-14(24)11(21(6)19-15)16(25)20(4)5/h4-10,15-16,26-27,31H,11-14H2,1-3H3;5-10,14,24-25,27H,4,11H2,1-3H3;6-12,16,24-25,27H,5H2,1-4H3;6-10,12,21,28H,5H2,1-4H3,(H,22,23);7-8,10,22-23,25H,1-6H3;3-8,17,23-24,26H,1-2H3;4-10,20-21,23H,1-3H3;7-8,17,24H,1-6H3,(H,18,19)/t16-;14-;16-;12-;10-;17-;10-;8-/m01110010/s1
• InChIKey: JEKRCLPBSMPQFY-XDFVWVNISA-N
• XLogP: 17.90
• TPSA: 907.22 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 60
• Rotatable Bonds: 52
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3296.58
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide?

The IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide (CID 158892582) is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide.

What is the SMILES notation for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide?

The canonical SMILES for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide is CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4cccc[n+]4[O-])CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2nn(C)c(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2nn(C)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.C[C@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C.

What is the InChIKey of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide?

The InChIKey is JEKRCLPBSMPQFY-XDFVWVNISA-N. The full InChI is InChI=1S/C25H29N5O5.C23H23N3O6.C23H25N3O5.C20H23N5O4.C20H24N4O4.C19H16F3N3O4S.C19H19N3O4S.C16H23N5O4/c1-15(2)16(3)26-20-21(24(33)23(20)32)27-18-8-6-7-17(22(18)31)25(34)29-13-11-28(12-14-29)19-9-4-5-10-30(19)35;1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3;1-5-16(13-9-11-14(31-4)12-10-13)24-18-19(22(29)21(18)28)25-17-8-6-7-15(20(17)27)23(30)26(2)3;1-5-12(11-9-7-6-8-10-11)21-13-14(17(27)16(13)26)22-19-18(28)15(25(4)23-19)20(29)24(2)3;1-10(20(2,3)4)22-14-15(18(27)17(14)26)23-13-8-11(9-21)7-12(16(13)25)19(28)24(5)6;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(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3;1-7(2)8(3)17-9-10(13(23)12(9)22)18-15-14(24)11(21(6)19-15)16(25)20(4)5/h4-10,15-16,26-27,31H,11-14H2,1-3H3;5-10,14,24-25,27H,4,11H2,1-3H3;6-12,16,24-25,27H,5H2,1-4H3;6-10,12,21,28H,5H2,1-4H3,(H,22,23);7-8,10,22-23,25H,1-6H3;3-8,17,23-24,26H,1-2H3;4-10,20-21,23H,1-3H3;7-8,17,24H,1-6H3,(H,18,19)/t16-;14-;16-;12-;10-;17-;10-;8-/m01110010/s1.

What are the key properties of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide?

3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide has a molecular weight of 3296.58 g/mol, XLogP of 17.90, 52 rotatable bonds, 24 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-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]-4-hydroxy-N,N,1-trimethylpyrazole-5-carboxamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;4-hydroxy-N,N,1-trimethyl-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 158892582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).