About 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (PubChem CID 158748765) has the molecular formula C180H191N25O35S
and a molecular weight of 3296.71 g/mol. Its IUPAC name is 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.
Frequently Asked Questions
What is the IUPAC name of 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (CID 158748765) is 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is CCC(Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1.CC[C@@H](Cc1cccs1)Nc1c(Nc2cccc(C(N)=O)c2O)c(=O)c1=O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(N)=O)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](COCc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O.
What is the InChIKey of 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is INEWZYSAEGEWSA-JFKMPPMOSA-N. The full InChI is InChI=1S/C26H28N4O5.C24H27N3O5.C24H27N3O4.C23H25N3O5.C23H25N3O4.C21H21N3O4.C20H19N3O4.C19H19N3O4S/c1-3-19(17-8-5-4-6-9-17)27-21-22(25(34)24(21)33)28-20-11-7-10-18(23(20)32)26(35)30-14-12-29(13-15-30)16(2)31;1-4-16(14-32-13-15-9-6-5-7-10-15)25-19-20(23(30)22(19)29)26-18-12-8-11-17(21(18)28)24(31)27(2)3;1-24(2,3)22(14-10-7-6-8-11-14)26-18-17(20(29)21(18)30)25-16-13-9-12-15(19(16)28)23(31)27(4)5;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;1-4-15(13-14-9-6-5-7-10-14)24-18-19(22(29)21(18)28)25-17-12-8-11-16(20(17)27)23(30)26(2)3;1-3-14(12-8-5-4-6-9-12)23-16-17(20(27)19(16)26)24-15-11-7-10-13(18(15)25)21(28)22-2;1-2-13(11-7-4-3-5-8-11)22-15-16(19(26)18(15)25)23-14-10-6-9-12(17(14)24)20(21)27;1-2-10(9-11-5-4-8-27-11)21-14-15(18(25)17(14)24)22-13-7-3-6-12(16(13)23)19(20)26/h4-11,19,27-28,32H,3,12-15H2,1-2H3;5-12,16,25-26,28H,4,13-14H2,1-3H3;6-13,22,25-26,28H,1-5H3;6-12,16,24-25,27H,5H2,1-4H3;5-12,15,24-25,27H,4,13H2,1-3H3;4-11,14,23-25H,3H2,1-2H3,(H,22,28);3-10,13,22-24H,2H2,1H3,(H2,21,27);3-8,10,21-23H,2,9H2,1H3,(H2,20,26)/t19-;16-;22-;;;14-;13-;10-/m110..110/s1.
What are the key properties of 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 3296.71 g/mol, XLogP of 22.32, 61 rotatable bonds, 27 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-acetylpiperazine-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-phenylbutan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylmethoxybutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide;3-[[3,4-dioxo-2-[[(2S)-1-thiophen-2-ylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 158748765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).