C276H548N20O56 — CID 159471844
N,N'-bis(3-dodecoxypropyl)-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]decanediamide;(8E,12E)-N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosa-8,12-dienediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]icosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentadecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis[2-(2-methoxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis(3-methoxypropyl)-8,13-dimethylicosanediamide (PubChem CID 159471844) has the molecular formula C276H548N20O56 and a molecular weight of 5043.50 g/mol. Its IUPAC name is N,N'-bis(3-dodecoxypropyl)-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]decanediamide;(8E,12E)-N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosa-8,12-dienediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]icosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentadecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis[2-(2-methoxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis(3-methoxypropyl)-8,13-dimethylicosanediamide.
| Compound Name | N,N'-bis(3-dodecoxypropyl)-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]decanediamide;(8E,12E)-N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosa-8,12-dienediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]icosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentadecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis[2-(2-methoxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis(3-methoxypropyl)-8,13-dimethylicosanediamide |
|---|---|
| PubChem CID | 159471844 |
| Molecular Formula | C276H548N20O56 |
| Molecular Weight | 5043.50 g/mol |
| Exact Mass | 5040.06 |
| IUPAC Name | N,N'-bis(3-dodecoxypropyl)-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]butanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]decanediamide;(8E,12E)-N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosa-8,12-dienediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]icosanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentadecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis[2-(2-methoxyethoxy)ethyl]-8,13-dimethylicosanediamide;N,N'-bis(3-methoxypropyl)-8,13-dimethylicosanediamide |
| SMILES | C/C(=C\CC/C=C(\C)CCCCCCC(=O)NCCOCCO)CCCCCCC(=O)NCCOCCO.CC(CCCCCCC(=O)NCCOCCO)CCCCC(C)CCCCCCC(=O)NCCOCCO.CCCCCCCCCCCCOCCCNC(=O)CCCCCCC(C)CCCCC(C)CCCCCCC(=O)NCCCOCCCCCCCCCCCC.COCCCNC(=O)CCCCCCC(C)CCCCC(C)CCCCCCC(=O)NCCCOC.COCCOCCNC(=O)CCCCCCC(C)CCCCC(C)CCCCCCC(=O)NCCOCCOC.O=C(CCC(=O)NCCOCCO)NCCOCCO.O=C(CCCCCCCCC(=O)NCCOCCO)NCCOCCO.O=C(CCCCCCCCCCCC(=O)NCCOCCO)NCCOCCO.O=C(CCCCCCCCCCCCCC(=O)NCCOCCO)NCCOCCO.O=C(CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO)NCCOCCO |
| InChI | InChI=1S/C52H104N2O4.C32H64N2O6.C30H60N2O6.C30H56N2O6.C30H60N2O4.C28H56N2O6.C23H46N2O6.C21H42N2O6.C18H36N2O6.C12H24N2O6/c1-5-7-9-11-13-15-17-19-25-33-45-57-47-35-43-53-51(55)41-29-23-21-27-37-49(3)39-31-32-40-50(4)38-28-22-24-30-42-52(56)54-44-36-48-58-46-34-26-20-18-16-14-12-10-8-6-2;1-29(15-9-5-7-11-19-31(35)33-21-23-39-27-25-37-3)17-13-14-18-30(2)16-10-6-8-12-20-32(36)34-22-24-40-28-26-38-4;2*1-27(13-7-3-5-9-17-29(35)31-19-23-37-25-21-33)15-11-12-16-28(2)14-8-4-6-10-18-30(36)32-20-24-38-26-22-34;1-27(17-9-5-7-11-21-29(33)31-23-15-25-35-3)19-13-14-20-28(2)18-10-6-8-12-22-30(34)32-24-16-26-36-4;31-21-25-35-23-19-29-27(33)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-28(34)30-20-24-36-26-22-32;26-16-20-30-18-14-24-22(28)12-10-8-6-4-2-1-3-5-7-9-11-13-23(29)25-15-19-31-21-17-27;24-14-18-28-16-12-22-20(26)10-8-6-4-2-1-3-5-7-9-11-21(27)23-13-17-29-19-15-25;21-11-15-25-13-9-19-17(23)7-5-3-1-2-4-6-8-18(24)20-10-14-26-16-12-22;15-5-9-19-7-3-13-11(17)1-2-12(18)14-4-8-20-10-6-16/h49-50H,5-48H2,1-4H3,(H,53,55)(H,54,56);29-30H,5-28H2,1-4H3,(H,33,35)(H,34,36);27-28,33-34H,3-26H2,1-2H3,(H,31,35)(H,32,36);15-16,33-34H,3-14,17-26H2,1-2H3,(H,31,35)(H,32,36);27-28H,5-26H2,1-4H3,(H,31,33)(H,32,34);31-32H,1-26H2,(H,29,33)(H,30,34);26-27H,1-21H2,(H,24,28)(H,25,29);24-25H,1-19H2,(H,22,26)(H,23,27);21-22H,1-16H2,(H,19,23)(H,20,24);15-16H,1-10H2,(H,13,17)(H,14,18)/b;;;27-15+,28-16+;;;;;; |
| InChIKey | LVXFLFACVZTDGY-ARRLDPGVSA-N |
| XLogP | 44.06 |
| TPSA | 1068.28 Ų |
| H-Bond Donors | 34 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 270 |
| Heavy Atoms | 352 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5043.50 |
| LogP ≤ 5 | 44.06 |
| H-Bond Donors ≤ 5 | 34 |
| H-Bond Acceptors ≤ 10 | 56 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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