3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

C244H255F3N36O47 — CID 161160202

IUPAC3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Cc1ccc2c(c1)OCO2)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CCC(Cc1cccc(C(F)(F)F)c1)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)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](CO)C3)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O
InChIInChI=1S/C30H29N5O5.C28H28N6O4.C26H29N3O5.C25H28N4O4.C25H27N3O5.C24H24F3N3O4.C24H25N3O6.C23H25N3O4.C20H21N3O5.C19H19N3O5/c1-2-21(19-9-4-3-5-10-19)32-24-25(28(38)27(24)37)33-22-13-8-11-20(26(22)36)29(39)34-15-17-35(18-16-34)30(40)23-12-6-7-14-31-23;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-2-18(13-16-7-4-3-5-8-16)27-21-22(25(33)24(21)32)28-20-10-6-9-19(23(20)31)26(34)29-12-11-17(14-29)15-30;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-16(13-15-7-4-3-5-8-15)26-20-21(24(32)23(20)31)27-19-10-6-9-18(22(19)30)25(33)28-12-11-17(29)14-28;1-4-15(12-13-7-5-8-14(11-13)24(25,26)27)28-18-19(22(33)21(18)32)29-17-10-6-9-16(20(17)31)23(34)30(2)3;1-4-14(10-13-8-9-17-18(11-13)33-12-32-17)25-19-20(23(30)22(19)29)26-16-7-5-6-15(21(16)28)24(31)27(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;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;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/h3-14,21,32-33,36H,2,15-18H2,1H3;3-13,20,31-32,35H,2,14-17H2,1H3;3-10,17-18,27-28,30-31H,2,11-15H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,16-17,26-27,29-30H,2,11-14H2,1H3;5-11,15,28-29,31H,4,12H2,1-3H3;5-9,11,14,25-26,28H,4,10,12H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;4-10,20-21,23H,1-3H3/t21-;20-;17-,18+;18-;16-,17+;;;15-;;/m11011..1../s1
InChIKeyUPUZFHPNNKEEBW-QEBBLGDFSA-N
MW4500.92 g/mol
LogP28.15
Rot. Bonds77

About 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 161160202) has the molecular formula C244H255F3N36O47 and a molecular weight of 4500.92 g/mol. Its IUPAC name is 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
PubChem CID161160202
Molecular FormulaC244H255F3N36O47
Molecular Weight4500.92 g/mol
Exact Mass4497.86
IUPAC Name3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Cc1ccc2c(c1)OCO2)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CCC(Cc1cccc(C(F)(F)F)c1)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)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](CO)C3)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O
InChIInChI=1S/C30H29N5O5.C28H28N6O4.C26H29N3O5.C25H28N4O4.C25H27N3O5.C24H24F3N3O4.C24H25N3O6.C23H25N3O4.C20H21N3O5.C19H19N3O5/c1-2-21(19-9-4-3-5-10-19)32-24-25(28(38)27(24)37)33-22-13-8-11-20(26(22)36)29(39)34-15-17-35(18-16-34)30(40)23-12-6-7-14-31-23;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-2-18(13-16-7-4-3-5-8-16)27-21-22(25(33)24(21)32)28-20-10-6-9-19(23(20)31)26(34)29-12-11-17(14-29)15-30;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-16(13-15-7-4-3-5-8-15)26-20-21(24(32)23(20)31)27-19-10-6-9-18(22(19)30)25(33)28-12-11-17(29)14-28;1-4-15(12-13-7-5-8-14(11-13)24(25,26)27)28-18-19(22(33)21(18)32)29-17-10-6-9-16(20(17)31)23(34)30(2)3;1-4-14(10-13-8-9-17-18(11-13)33-12-32-17)25-19-20(23(30)22(19)29)26-16-7-5-6-15(21(16)28)24(31)27(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;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;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/h3-14,21,32-33,36H,2,15-18H2,1H3;3-13,20,31-32,35H,2,14-17H2,1H3;3-10,17-18,27-28,30-31H,2,11-15H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,16-17,26-27,29-30H,2,11-14H2,1H3;5-11,15,28-29,31H,4,12H2,1-3H3;5-9,11,14,25-26,28H,4,10,12H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;4-10,20-21,23H,1-3H3/t21-;20-;17-,18+;18-;16-,17+;;;15-;;/m11011..1../s1
InChIKeyUPUZFHPNNKEEBW-QEBBLGDFSA-N
XLogP28.15
TPSA1138.06 Ų
H-Bond Donors32
H-Bond Acceptors72
Rotatable Bonds77
Heavy Atoms330
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004500.92
LogP ≤ 528.15
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1072

Analyze 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione with MolForge

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What is the IUPAC name of 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (CID 161160202) is 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is CC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Cc1ccc2c(c1)OCO2)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CCC(Cc1cccc(C(F)(F)F)c1)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)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](CO)C3)c2O)c(=O)c1=O.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O.
What is the InChIKey of 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The InChIKey is UPUZFHPNNKEEBW-QEBBLGDFSA-N. The full InChI is InChI=1S/C30H29N5O5.C28H28N6O4.C26H29N3O5.C25H28N4O4.C25H27N3O5.C24H24F3N3O4.C24H25N3O6.C23H25N3O4.C20H21N3O5.C19H19N3O5/c1-2-21(19-9-4-3-5-10-19)32-24-25(28(38)27(24)37)33-22-13-8-11-20(26(22)36)29(39)34-15-17-35(18-16-34)30(40)23-12-6-7-14-31-23;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-2-18(13-16-7-4-3-5-8-16)27-21-22(25(33)24(21)32)28-20-10-6-9-19(23(20)31)26(34)29-12-11-17(14-29)15-30;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-16(13-15-7-4-3-5-8-15)26-20-21(24(32)23(20)31)27-19-10-6-9-18(22(19)30)25(33)28-12-11-17(29)14-28;1-4-15(12-13-7-5-8-14(11-13)24(25,26)27)28-18-19(22(33)21(18)32)29-17-10-6-9-16(20(17)31)23(34)30(2)3;1-4-14(10-13-8-9-17-18(11-13)33-12-32-17)25-19-20(23(30)22(19)29)26-16-7-5-6-15(21(16)28)24(31)27(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;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;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/h3-14,21,32-33,36H,2,15-18H2,1H3;3-13,20,31-32,35H,2,14-17H2,1H3;3-10,17-18,27-28,30-31H,2,11-15H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,16-17,26-27,29-30H,2,11-14H2,1H3;5-11,15,28-29,31H,4,12H2,1-3H3;5-9,11,14,25-26,28H,4,10,12H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;4-10,20-21,23H,1-3H3/t21-;20-;17-,18+;18-;16-,17+;;;15-;;/m11011..1../s1.
What are the key properties of 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 4500.92 g/mol, XLogP of 28.15, 77 rotatable bonds, 32 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(1,3-benzodioxol-5-yl)butan-2-ylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[1-[3-(trifluoromethyl)phenyl]butan-2-ylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(2R)-1-phenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 161160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).