3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide

C140H154N24O29S — CID 162229916

IUPAC3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
SMILESC#CC(CC)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](C)Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](C)Nc1c(Nc2cc(C#N)cc(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.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
InChIInChI=1S/C24H27N3O4.C23H25N3O5.C20H24N4O4.C19H19N3O4S.2C18H20N4O4.C18H19N3O4/c1-24(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;1-10(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;1-10(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;2*1-5-9(2)20-13-14(17(25)16(13)24)21-12-7-10(8-19)6-11(15(12)23)18(26)22(3)4;1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h6-13,22,25-26,28H,1-5H3;6-12,16,24-25,27H,5H2,1-4H3;7-8,10,22-23,25H,1-6H3;4-10,20-21,23H,1-3H3;2*6-7,9,20-21,23H,5H2,1-4H3;1,7-10,19-20,22H,6H2,2-4H3/t22-;;2*10-;2*9-;/m0.0110./s1
InChIKeyZVGZVILMURBTOY-FXKKMKJESA-N
MW2668.98 g/mol
LogP15.75
Rot. Bonds43

About 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide

3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (PubChem CID 162229916) has the molecular formula C140H154N24O29S and a molecular weight of 2668.98 g/mol. Its IUPAC name is 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
PubChem CID162229916
Molecular FormulaC140H154N24O29S
Molecular Weight2668.98 g/mol
Exact Mass2667.10
IUPAC Name3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
SMILESC#CC(CC)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](C)Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](C)Nc1c(Nc2cc(C#N)cc(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.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
InChIInChI=1S/C24H27N3O4.C23H25N3O5.C20H24N4O4.C19H19N3O4S.2C18H20N4O4.C18H19N3O4/c1-24(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;1-10(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;1-10(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;2*1-5-9(2)20-13-14(17(25)16(13)24)21-12-7-10(8-19)6-11(15(12)23)18(26)22(3)4;1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h6-13,22,25-26,28H,1-5H3;6-12,16,24-25,27H,5H2,1-4H3;7-8,10,22-23,25H,1-6H3;4-10,20-21,23H,1-3H3;2*6-7,9,20-21,23H,5H2,1-4H3;1,7-10,19-20,22H,6H2,2-4H3/t22-;;2*10-;2*9-;/m0.0110./s1
InChIKeyZVGZVILMURBTOY-FXKKMKJESA-N
XLogP15.75
TPSA771.78 Ų
H-Bond Donors21
H-Bond Acceptors47
Rotatable Bonds43
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.98
LogP ≤ 515.75
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide 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]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (CID 162229916) is 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is C#CC(CC)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](C)Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O.CC[C@H](C)Nc1c(Nc2cc(C#N)cc(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.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-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZVGZVILMURBTOY-FXKKMKJESA-N. The full InChI is InChI=1S/C24H27N3O4.C23H25N3O5.C20H24N4O4.C19H19N3O4S.2C18H20N4O4.C18H19N3O4/c1-24(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;1-10(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;1-10(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;2*1-5-9(2)20-13-14(17(25)16(13)24)21-12-7-10(8-19)6-11(15(12)23)18(26)22(3)4;1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h6-13,22,25-26,28H,1-5H3;6-12,16,24-25,27H,5H2,1-4H3;7-8,10,22-23,25H,1-6H3;4-10,20-21,23H,1-3H3;2*6-7,9,20-21,23H,5H2,1-4H3;1,7-10,19-20,22H,6H2,2-4H3/t22-;;2*10-;2*9-;/m0.0110./s1.
What are the key properties of 3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?
3-[[2-[[(2S)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 2668.98 g/mol, XLogP of 15.75, 43 rotatable bonds, 21 hydrogen bond donors, and 47 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]-5-cyano-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(2R)-butan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-5-cyano-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-[[2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(pent-1-yn-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-[1-(4-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 162229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).