C55H108N10O4 — CID 157342004
N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide;N-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[2-(2-oxopropylamino)ethylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 157342004) has the molecular formula C55H108N10O4 and a molecular weight of 973.53 g/mol. Its IUPAC name is N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide;N-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[2-(2-oxopropylamino)ethylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
| Compound Name | N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide;N-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[2-(2-oxopropylamino)ethylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide |
|---|---|
| PubChem CID | 157342004 |
| Molecular Formula | C55H108N10O4 |
| Molecular Weight | 973.53 g/mol |
| Exact Mass | 972.86 |
| IUPAC Name | N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide;N-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[2-(2-oxopropylamino)ethylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide |
| SMILES | CC(=O)CNCCNCC(=O)N(CCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.CC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 |
| InChI | InChI=1S/C29H58N6O2.C26H50N4O2/c1-22(36)20-30-12-13-31-21-25(37)35(24-18-28(6,7)33-29(8,9)19-24)15-11-14-34(10)23-16-26(2,3)32-27(4,5)17-23;1-23(2)15-21(16-24(3,4)27-23)29(19-31)13-11-9-10-12-14-30(20-32)22-17-25(5,6)28-26(7,8)18-22/h23-24,30-33H,11-21H2,1-10H3;19-22,27-28H,9-18H2,1-8H3 |
| InChIKey | BGMSZGORDUXEEC-UHFFFAOYSA-N |
| XLogP | 6.61 |
| TPSA | 153.42 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 69 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 973.53 |
| LogP ≤ 5 | 6.61 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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