C190H179N23O34 — CID 172954844
1-N-[(E)-9H-fluoren-2-ylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide;4-[2-[[4-[5-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]pentoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;4-[2-[[4-[3-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]propoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;N-hydroxy-4-[2-[[4-[4-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]butoxy]phenyl]methylideneamino]acetyl]benzamide;N-hydroxy-4-[2-[[4-[6-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]hexoxy]phenyl]methylideneamino]acetyl]benzamide;4-N-hydroxy-1-N-[(E)-quinolin-2-ylmethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 172954844) has the molecular formula C190H179N23O34 and a molecular weight of 3328.65 g/mol. Its IUPAC name is 1-N-[(E)-9H-fluoren-2-ylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide;4-[2-[[4-[5-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]pentoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;4-[2-[[4-[3-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]propoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;N-hydroxy-4-[2-[[4-[4-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]butoxy]phenyl]methylideneamino]acetyl]benzamide;N-hydroxy-4-[2-[[4-[6-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]hexoxy]phenyl]methylideneamino]acetyl]benzamide;4-N-hydroxy-1-N-[(E)-quinolin-2-ylmethylideneamino]benzene-1,4-dicarboxamide.
| Compound Name | 1-N-[(E)-9H-fluoren-2-ylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide;4-[2-[[4-[5-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]pentoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;4-[2-[[4-[3-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]propoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;N-hydroxy-4-[2-[[4-[4-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]butoxy]phenyl]methylideneamino]acetyl]benzamide;N-hydroxy-4-[2-[[4-[6-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]hexoxy]phenyl]methylideneamino]acetyl]benzamide;4-N-hydroxy-1-N-[(E)-quinolin-2-ylmethylideneamino]benzene-1,4-dicarboxamide |
|---|---|
| PubChem CID | 172954844 |
| Molecular Formula | C190H179N23O34 |
| Molecular Weight | 3328.65 g/mol |
| Exact Mass | 3326.30 |
| IUPAC Name | 1-N-[(E)-9H-fluoren-2-ylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide;4-[2-[[4-[5-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]pentoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;4-[2-[[4-[3-[4-[[2-[4-(hydroxycarbamoyl)phenyl]-2-oxoethyl]iminomethyl]phenoxy]propoxy]phenyl]methylideneamino]acetyl]-N-methylbenzamide;N-hydroxy-4-[2-[[4-[4-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]butoxy]phenyl]methylideneamino]acetyl]benzamide;N-hydroxy-4-[2-[[4-[6-[4-[(E)-[1-[4-(2-hydroxyacetyl)phenyl]ethenylhydrazinylidene]methyl]phenoxy]hexoxy]phenyl]methylideneamino]acetyl]benzamide;4-N-hydroxy-1-N-[(E)-quinolin-2-ylmethylideneamino]benzene-1,4-dicarboxamide |
| SMILES | C=C(N/N=C/c1ccc(OCCCCCCOc2ccc(/C=N/CC(=O)c3ccc(C(=O)NO)cc3)cc2)cc1)c1ccc(C(=O)CO)cc1.C=C(N/N=C/c1ccc(OCCCCOc2ccc(/C=N/CC(=O)c3ccc(C(=O)NO)cc3)cc2)cc1)c1ccc(C(=O)CO)cc1.CNC(=O)c1ccc(C(=O)C/N=C/c2ccc(OCCCCCOc3ccc(/C=N/CC(=O)c4ccc(C(=O)NO)cc4)cc3)cc2)cc1.CNC(=O)c1ccc(C(=O)C/N=C/c2ccc(OCCCOc3ccc(/C=N/CC(=O)c4ccc(C(=O)NO)cc4)cc3)cc2)cc1.O=C(NO)c1ccc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1.O=C(NO)c1ccc(C(=O)N/N=C/c2ccc3ccccc3n2)cc1 |
| InChI | InChI=1S/C39H40N4O7.C38H38N4O7.C37H36N4O7.C36H34N4O7.C22H17N3O3.C18H14N4O3/c1-28(31-10-12-33(13-11-31)38(46)27-44)42-41-25-30-8-20-36(21-9-30)50-23-5-3-2-4-22-49-35-18-6-29(7-19-35)24-40-26-37(45)32-14-16-34(17-15-32)39(47)43-48;1-39-37(45)31-13-9-29(10-14-31)35(43)25-40-23-27-5-17-33(18-6-27)48-21-3-2-4-22-49-34-19-7-28(8-20-34)24-41-26-36(44)30-11-15-32(16-12-30)38(46)42-47;1-26(29-8-10-31(11-9-29)36(44)25-42)40-39-23-28-6-18-34(19-7-28)48-21-3-2-20-47-33-16-4-27(5-17-33)22-38-24-35(43)30-12-14-32(15-13-30)37(45)41-46;1-37-35(43)29-11-7-27(8-12-29)33(41)23-38-21-25-3-15-31(16-4-25)46-19-2-20-47-32-17-5-26(6-18-32)22-39-24-34(42)28-9-13-30(14-10-28)36(44)40-45;26-21(15-6-8-16(9-7-15)22(27)25-28)24-23-13-14-5-10-20-18(11-14)12-17-3-1-2-4-19(17)20;23-17(13-5-7-14(8-6-13)18(24)22-25)21-19-11-15-10-9-12-3-1-2-4-16(12)20-15/h6-21,24-25,42,44,48H,1-5,22-23,26-27H2,(H,43,47);5-20,23-24,47H,2-4,21-22,25-26H2,1H3,(H,39,45)(H,42,46);4-19,22-23,40,42,46H,1-3,20-21,24-25H2,(H,41,45);3-18,21-22,45H,2,19-20,23-24H2,1H3,(H,37,43)(H,40,44);1-11,13,28H,12H2,(H,24,26)(H,25,27);1-11,25H,(H,21,23)(H,22,24)/b40-24+,41-25+;40-23+,41-24+;38-22+,39-23+;38-21+,39-22+;23-13+;19-11+ |
| InChIKey | NNGANRPDXGUNOM-MCQSVFRKSA-N |
| XLogP | 26.28 |
| TPSA | 823.79 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 247 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3328.65 |
| LogP ≤ 5 | 26.28 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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