C147H161F3N14O17 — CID 158518503
5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxopentanamide;5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxo-N-phenylpentanamide;1-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(3-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(4-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-1-(3-methylphenyl)-6-(trifluoromethyl)indol-3-yl]ethylideneamino]pentan-2-one (PubChem CID 158518503) has the molecular formula C147H161F3N14O17 and a molecular weight of 2452.98 g/mol. Its IUPAC name is 5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxopentanamide;5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxo-N-phenylpentanamide;1-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(3-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(4-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-1-(3-methylphenyl)-6-(trifluoromethyl)indol-3-yl]ethylideneamino]pentan-2-one.
| Compound Name | 5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxopentanamide;5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxo-N-phenylpentanamide;1-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(3-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(4-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-1-(3-methylphenyl)-6-(trifluoromethyl)indol-3-yl]ethylideneamino]pentan-2-one |
|---|---|
| PubChem CID | 158518503 |
| Molecular Formula | C147H161F3N14O17 |
| Molecular Weight | 2452.98 g/mol |
| Exact Mass | 2451.21 |
| IUPAC Name | 5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxopentanamide;5-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]-4-oxo-N-phenylpentanamide;1-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(3-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-6-methyl-1-(4-methylphenyl)indol-3-yl]ethylideneamino]pentan-2-one;5-hydroxy-1-[1-[2-hydroxy-1-(3-methylphenyl)-6-(trifluoromethyl)indol-3-yl]ethylideneamino]pentan-2-one |
| SMILES | C/C(=N\CC(=O)CCC(=O)Nc1ccccc1)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12.C/C(=N\CC(=O)CCC(N)=O)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12.C/C(=N\CC(=O)CCCO)c1c(O)n(-c2ccc(C)cc2)c2cc(C)ccc12.C/C(=N\CC(=O)CCCO)c1c(O)n(-c2cccc(C)c2)c2cc(C(F)(F)F)ccc12.C/C(=N\CC(=O)CCCO)c1c(O)n(-c2cccc(C)c2)c2cc(C)ccc12.CCCC(=O)C/N=C(\C)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12 |
| InChI | InChI=1S/C30H31N3O3.C24H27N3O3.C24H28N2O2.C23H23F3N2O3.2C23H26N2O3/c1-19-10-12-26-27(17-19)33(24-15-20(2)14-21(3)16-24)30(36)29(26)22(4)31-18-25(34)11-13-28(35)32-23-8-6-5-7-9-23;1-14-5-7-20-21(12-14)27(18-10-15(2)9-16(3)11-18)24(30)23(20)17(4)26-13-19(28)6-8-22(25)29;1-6-7-20(27)14-25-18(5)23-21-9-8-15(2)13-22(21)26(24(23)28)19-11-16(3)10-17(4)12-19;1-14-5-3-6-17(11-14)28-20-12-16(23(24,25)26)8-9-19(20)21(22(28)31)15(2)27-13-18(30)7-4-10-29;1-15-6-4-7-18(12-15)25-21-13-16(2)9-10-20(21)22(23(25)28)17(3)24-14-19(27)8-5-11-26;1-15-6-9-18(10-7-15)25-21-13-16(2)8-11-20(21)22(23(25)28)17(3)24-14-19(27)5-4-12-26/h5-10,12,14-17,36H,11,13,18H2,1-4H3,(H,32,35);5,7,9-12,30H,6,8,13H2,1-4H3,(H2,25,29);8-13,28H,6-7,14H2,1-5H3;3,5-6,8-9,11-12,29,31H,4,7,10,13H2,1-2H3;4,6-7,9-10,12-13,26,28H,5,8,11,14H2,1-3H3;6-11,13,26,28H,4-5,12,14H2,1-3H3/b31-22+;26-17+;25-18+;27-15+;2*24-17+ |
| InChIKey | XQINBRUSWJDPCF-RHZFOHQGSA-N |
| XLogP | 28.42 |
| TPSA | 460.42 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2452.98 |
| LogP ≤ 5 | 28.42 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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