C290H470N26O14 — CID 157317486
N,N'-bis[2-(5-octoxy-1H-indol-3-yl)ethyl]dodecanediamide;2-(5-decoxy-1H-indol-3-yl)-N,N-dimethylethanamine;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;N,N-dimethyl-2-(5-nonoxy-1H-indol-3-yl)ethanamine;N,N-dimethyl-2-(5-octoxy-1H-indol-3-yl)ethanamine;bis(N,N-dimethyl-2-(5-tetradecoxy-1H-indol-3-yl)ethanamine);N,N-dimethyl-2-(5-undecoxy-1H-indol-3-yl)ethanamine;2-(5-dodecoxy-1H-indol-3-yl)-N,N-dimethylethanamine;bis(2-(5-hexadecoxy-1H-indol-3-yl)-N,N-dimethylethanamine);2-(1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 157317486) has the molecular formula C290H470N26O14 and a molecular weight of 4545.12 g/mol. Its IUPAC name is N,N'-bis[2-(5-octoxy-1H-indol-3-yl)ethyl]dodecanediamide;2-(5-decoxy-1H-indol-3-yl)-N,N-dimethylethanamine;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;N,N-dimethyl-2-(5-nonoxy-1H-indol-3-yl)ethanamine;N,N-dimethyl-2-(5-octoxy-1H-indol-3-yl)ethanamine;bis(N,N-dimethyl-2-(5-tetradecoxy-1H-indol-3-yl)ethanamine);N,N-dimethyl-2-(5-undecoxy-1H-indol-3-yl)ethanamine;2-(5-dodecoxy-1H-indol-3-yl)-N,N-dimethylethanamine;bis(2-(5-hexadecoxy-1H-indol-3-yl)-N,N-dimethylethanamine);2-(1H-indol-3-yl)-N,N-dimethylethanamine.
| Compound Name | N,N'-bis[2-(5-octoxy-1H-indol-3-yl)ethyl]dodecanediamide;2-(5-decoxy-1H-indol-3-yl)-N,N-dimethylethanamine;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;N,N-dimethyl-2-(5-nonoxy-1H-indol-3-yl)ethanamine;N,N-dimethyl-2-(5-octoxy-1H-indol-3-yl)ethanamine;bis(N,N-dimethyl-2-(5-tetradecoxy-1H-indol-3-yl)ethanamine);N,N-dimethyl-2-(5-undecoxy-1H-indol-3-yl)ethanamine;2-(5-dodecoxy-1H-indol-3-yl)-N,N-dimethylethanamine;bis(2-(5-hexadecoxy-1H-indol-3-yl)-N,N-dimethylethanamine);2-(1H-indol-3-yl)-N,N-dimethylethanamine |
|---|---|
| PubChem CID | 157317486 |
| Molecular Formula | C290H470N26O14 |
| Molecular Weight | 4545.12 g/mol |
| Exact Mass | 4541.69 |
| IUPAC Name | N,N'-bis[2-(5-octoxy-1H-indol-3-yl)ethyl]dodecanediamide;2-(5-decoxy-1H-indol-3-yl)-N,N-dimethylethanamine;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;N,N-dimethyl-2-(5-nonoxy-1H-indol-3-yl)ethanamine;N,N-dimethyl-2-(5-octoxy-1H-indol-3-yl)ethanamine;bis(N,N-dimethyl-2-(5-tetradecoxy-1H-indol-3-yl)ethanamine);N,N-dimethyl-2-(5-undecoxy-1H-indol-3-yl)ethanamine;2-(5-dodecoxy-1H-indol-3-yl)-N,N-dimethylethanamine;bis(2-(5-hexadecoxy-1H-indol-3-yl)-N,N-dimethylethanamine);2-(1H-indol-3-yl)-N,N-dimethylethanamine |
| SMILES | CCCCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCCCCCCCOc1ccc2[nH]cc(CCNC(=O)CCCCCCCCCCC(=O)NCCc3c[nH]c4ccc(OCCCCCCCC)cc34)c2c1.CN(C)CCc1c[nH]c2ccc(O)cc12.CN(C)CCc1c[nH]c2ccccc12 |
| InChI | InChI=1S/C48H74N4O4.2C28H48N2O.2C26H44N2O.C24H40N2O.C23H38N2O.C22H36N2O.C21H34N2O.C20H32N2O.C12H16N2O.C12H16N2/c1-3-5-7-9-17-21-33-55-41-25-27-45-43(35-41)39(37-51-45)29-31-49-47(53)23-19-15-13-11-12-14-16-20-24-48(54)50-32-30-40-38-52-46-28-26-42(36-44(40)46)56-34-22-18-10-8-6-4-2;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-26-18-19-28-27(23-26)25(24-29-28)20-21-30(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-16-17-26-25(21-24)23(22-27-26)18-19-28(2)3;1-4-5-6-7-8-9-10-11-12-13-18-27-22-14-15-24-23(19-22)21(20-25-24)16-17-26(2)3;1-4-5-6-7-8-9-10-11-12-17-26-21-13-14-23-22(18-21)20(19-24-23)15-16-25(2)3;1-4-5-6-7-8-9-10-11-16-25-20-12-13-22-21(17-20)19(18-23-22)14-15-24(2)3;1-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(17-22-21)13-14-23(2)3;1-4-5-6-7-8-9-14-23-18-10-11-20-19(15-18)17(16-21-20)12-13-22(2)3;1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h25-28,35-38,51-52H,3-24,29-34H2,1-2H3,(H,49,53)(H,50,54);2*18-19,23-24,29H,4-17,20-22H2,1-3H3;2*16-17,21-22,27H,4-15,18-20H2,1-3H3;14-15,19-20,25H,4-13,16-18H2,1-3H3;13-14,18-19,24H,4-12,15-17H2,1-3H3;12-13,17-18,23H,4-11,14-16H2,1-3H3;11-12,16-17,22H,4-10,13-15H2,1-3H3;10-11,15-16,21H,4-9,12-14H2,1-3H3;3-4,7-8,13,15H,5-6H2,1-2H3;3-6,9,13H,7-8H2,1-2H3 |
| InChIKey | BDTVTVCWYAJBFG-UHFFFAOYSA-N |
| XLogP | 76.22 |
| TPSA | 420.87 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 176 |
| Heavy Atoms | 330 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4545.12 |
| LogP ≤ 5 | 76.22 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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