C209H247N21O19 — CID 158342536
10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide;N-[2-(2-methyl-1H-indol-3-yl)ethyl]-8-oxodecanamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 158342536) has the molecular formula C209H247N21O19 and a molecular weight of 3357.40 g/mol. Its IUPAC name is 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide;N-[2-(2-methyl-1H-indol-3-yl)ethyl]-8-oxodecanamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide.
| Compound Name | 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide;N-[2-(2-methyl-1H-indol-3-yl)ethyl]-8-oxodecanamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide |
|---|---|
| PubChem CID | 158342536 |
| Molecular Formula | C209H247N21O19 |
| Molecular Weight | 3357.40 g/mol |
| Exact Mass | 3354.90 |
| IUPAC Name | 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide;N-[2-(2-methyl-1H-indol-3-yl)ethyl]-8-oxodecanamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide |
| SMILES | CCC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CCC(=O)CCCCCCC(=O)NCCc1c(C)[nH]c2ccccc12.CCC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1ccc(C)cc1.CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1cccc2c(N(C)C)cccc12.CCC(=O)CCCCCNC(=O)c1[nH]c2ccccc2c1C.CNC(=O)CCCCCCC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCCC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |
| InChI | InChI=1S/C30H29N3O4.C30H37N3O2.C29H29N3O3.C29H35N3O2.C27H31N3O2.C25H32N2O2.C21H30N2O2.C18H24N2O2/c1-2-19(34)11-5-3-4-6-16-26(35)33-29(36)27(22-17-31-24-14-9-7-12-20(22)24)28(30(33)37)23-18-32-25-15-10-8-13-21(23)25;1-4-24(34)14-6-5-9-19-31-30(35)29-20-22-12-7-8-17-27(22)33(29)21-23-13-10-16-26-25(23)15-11-18-28(26)32(2)3;1-2-19(33)11-5-3-4-10-16-32-28(34)26(22-17-30-24-14-8-6-12-20(22)24)27(29(32)35)23-18-31-25-15-9-7-13-21(23)25;1-19-28(22-13-8-10-15-25(22)31-19)24(29-20(2)32-26-16-11-9-14-23(26)29)18-21(33)12-6-4-5-7-17-27(34)30-3;1-28-27(32)15-5-3-2-4-10-19(31)16-22(23-17-29-25-13-8-6-11-20(23)25)24-18-30-26-14-9-7-12-21(24)26;1-3-22(28)10-5-4-8-16-26-25(29)24-17-21-9-6-7-11-23(21)27(24)18-20-14-12-19(2)13-15-20;1-3-17(24)10-6-4-5-7-13-21(25)22-15-14-18-16(2)23-20-12-9-8-11-19(18)20;1-3-14(21)9-5-4-8-12-19-18(22)17-13(2)15-10-6-7-11-16(15)20-17/h7-10,12-15,17-18,31-32H,2-6,11,16H2,1H3;7-8,10-13,15-18,29H,4-6,9,14,19-21H2,1-3H3,(H,31,35);6-9,12-15,17-18,30-31H,2-5,10-11,16H2,1H3;8-11,13-16,24,31-32H,4-7,12,17-18H2,1-3H3,(H,30,34);6-9,11-14,17-18,22,29-30H,2-5,10,15-16H2,1H3,(H,28,32);6-7,9,11-15,24H,3-5,8,10,16-18H2,1-2H3,(H,26,29);8-9,11-12,23H,3-7,10,13-15H2,1-2H3,(H,22,25);6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,19,22) |
| InChIKey | GRIIDQZBCZWOJD-UHFFFAOYSA-N |
| XLogP | 42.18 |
| TPSA | 570.61 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 82 |
| Heavy Atoms | 249 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3357.40 |
| LogP ≤ 5 | 42.18 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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