3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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

C178H176F4N26O41S2 — CID 159571901

About 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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 (PubChem CID 159571901) has the molecular formula C178H176F4N26O41S2 and a molecular weight of 3475.63 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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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.

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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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
• PubChem CID: 159571901
• Molecular Formula: C178H176F4N26O41S2
• Molecular Weight: 3475.63 g/mol
• Exact Mass: 3473.19
• IUPAC Name: 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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
• SMILES: CC(C)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)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.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(Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(F)cc3)C3CC3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O
• InChI: InChI=1S/C30H28N4O8.C23H22FN3O4.2C23H23N3O6.C23H25N3O5.C21H20N4O4S.C19H16F3N3O4S.C16H19N3O4/c1-2-19(17-8-4-3-5-9-17)31-23-24(27(37)26(23)36)32-20-11-6-10-18(25(20)35)28(38)34-14-13-33(16-21(34)30(40)41)29(39)22-12-7-15-42-22;1-27(2)23(31)15-4-3-5-16(20(15)28)25-18-19(22(30)21(18)29)26-17(12-6-7-12)13-8-10-14(24)11-9-13;2*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;1-4-13(15-6-5-7-30-15)23-16-17(20(28)19(16)27)24-14-9-11(10-22)8-12(18(14)26)21(29)25(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;1-8(2)17-11-12(15(22)14(11)21)18-10-7-5-6-9(13(10)20)16(23)19(3)4/h3-12,15,19,21,31-32,35H,2,13-14,16H2,1H3,(H,40,41);3-5,8-12,17,25-26,28H,6-7H2,1-2H3;2*5-10,14,24-25,27H,4,11H2,1-3H3;6-12,16,24-25,27H,5H2,1-4H3;5-9,13,23-24,26H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;5-8,17-18,20H,1-4H3/t19-,21?;17-;14-;;16-;13-;17-;/m111.110./s1
• InChIKey: MHXRANQJSKPARE-OGYYIMABSA-N
• XLogP: 21.93
• TPSA: 930.61 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 59
• Rotatable Bonds: 56
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3475.63
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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?

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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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 (CID 159571901) is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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.

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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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?

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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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 is CC(C)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)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.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(Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(F)cc3)C3CC3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.

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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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?

The InChIKey is MHXRANQJSKPARE-OGYYIMABSA-N. The full InChI is InChI=1S/C30H28N4O8.C23H22FN3O4.2C23H23N3O6.C23H25N3O5.C21H20N4O4S.C19H16F3N3O4S.C16H19N3O4/c1-2-19(17-8-4-3-5-9-17)31-23-24(27(37)26(23)36)32-20-11-6-10-18(25(20)35)28(38)34-14-13-33(16-21(34)30(40)41)29(39)22-12-7-15-42-22;1-27(2)23(31)15-4-3-5-16(20(15)28)25-18-19(22(30)21(18)29)26-17(12-6-7-12)13-8-10-14(24)11-9-13;2*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;1-4-13(15-6-5-7-30-15)23-16-17(20(28)19(16)27)24-14-9-11(10-22)8-12(18(14)26)21(29)25(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;1-8(2)17-11-12(15(22)14(11)21)18-10-7-5-6-9(13(10)20)16(23)19(3)4/h3-12,15,19,21,31-32,35H,2,13-14,16H2,1H3,(H,40,41);3-5,8-12,17,25-26,28H,6-7H2,1-2H3;2*5-10,14,24-25,27H,4,11H2,1-3H3;6-12,16,24-25,27H,5H2,1-4H3;5-9,13,23-24,26H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;5-8,17-18,20H,1-4H3/t19-,21?;17-;14-;;16-;13-;17-;/m111.110./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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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 has a molecular weight of 3475.63 g/mol, XLogP of 21.93, 56 rotatable bonds, 25 hydrogen bond donors, and 59 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;3-[[2-[1-(1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;5-cyano-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-(propan-2-ylamino)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 is sourced from PubChem (CID 159571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).