C122H235N11O22 — CID 162114204
2-methyl-N-[2-[2-[2-[2-[2-[2-[2-(9-methyl-4-oxodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;6-methyl-N-(9-methyl-8-oxodecyl)heptanamide;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;6-methyl-N-(5-methyl-4-oxohexyl)heptanamide;7-methyl-N-[3-[4-[4-(2-methylpropanoylamino)butyl]triazol-1-yl]propyl]octanamide;3-propan-2-yloxypropyl N-[9-(2-methylpropanoylamino)-6-oxononyl]carbamate (PubChem CID 162114204) has the molecular formula C122H235N11O22 and a molecular weight of 2208.28 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-[2-[2-[2-(9-methyl-4-oxodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;6-methyl-N-(9-methyl-8-oxodecyl)heptanamide;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;6-methyl-N-(5-methyl-4-oxohexyl)heptanamide;7-methyl-N-[3-[4-[4-(2-methylpropanoylamino)butyl]triazol-1-yl]propyl]octanamide;3-propan-2-yloxypropyl N-[9-(2-methylpropanoylamino)-6-oxononyl]carbamate.
| Compound Name | 2-methyl-N-[2-[2-[2-[2-[2-[2-[2-(9-methyl-4-oxodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;6-methyl-N-(9-methyl-8-oxodecyl)heptanamide;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;6-methyl-N-(5-methyl-4-oxohexyl)heptanamide;7-methyl-N-[3-[4-[4-(2-methylpropanoylamino)butyl]triazol-1-yl]propyl]octanamide;3-propan-2-yloxypropyl N-[9-(2-methylpropanoylamino)-6-oxononyl]carbamate |
|---|---|
| PubChem CID | 162114204 |
| Molecular Formula | C122H235N11O22 |
| Molecular Weight | 2208.28 g/mol |
| Exact Mass | 2206.76 |
| IUPAC Name | 2-methyl-N-[2-[2-[2-[2-[2-[2-[2-(9-methyl-4-oxodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;6-methyl-N-(9-methyl-8-oxodecyl)heptanamide;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;6-methyl-N-(5-methyl-4-oxohexyl)heptanamide;7-methyl-N-[3-[4-[4-(2-methylpropanoylamino)butyl]triazol-1-yl]propyl]octanamide;3-propan-2-yloxypropyl N-[9-(2-methylpropanoylamino)-6-oxononyl]carbamate |
| SMILES | CC(C)CCC(=O)NCCCCCCCC(=O)C(C)C.CC(C)CCCCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(C)C.CC(C)CCCCC(=O)NCCCC(=O)C(C)C.CC(C)CCCCC(=O)NCCCCCCCC(=O)C(C)C.CC(C)CCCCCC(=O)NCCCn1cc(CCCCNC(=O)C(C)C)nn1.CC(C)OCCCOC(=O)NCCCCCC(=O)CCCNC(=O)C(C)C |
| InChI | InChI=1S/C29H57NO9.C22H41N5O2.C20H38N2O5.C19H37NO2.C17H33NO2.C15H29NO2/c1-26(2)8-5-6-9-28(31)10-7-12-33-14-16-35-18-20-37-22-24-39-25-23-38-21-19-36-17-15-34-13-11-30-29(32)27(3)4;1-18(2)11-6-5-7-13-21(28)23-15-10-16-27-17-20(25-26-27)12-8-9-14-24-22(29)19(3)4;1-16(2)19(24)21-13-8-11-18(23)10-6-5-7-12-22-20(25)27-15-9-14-26-17(3)4;1-16(2)12-9-10-14-19(22)20-15-11-7-5-6-8-13-18(21)17(3)4;1-14(2)11-12-17(20)18-13-9-7-5-6-8-10-16(19)15(3)4;1-12(2)8-5-6-10-15(18)16-11-7-9-14(17)13(3)4/h26-27H,5-25H2,1-4H3,(H,30,32);17-19H,5-16H2,1-4H3,(H,23,28)(H,24,29);16-17H,5-15H2,1-4H3,(H,21,24)(H,22,25);16-17H,5-15H2,1-4H3,(H,20,22);14-15H,5-13H2,1-4H3,(H,18,20);12-13H,5-11H2,1-4H3,(H,16,18) |
| InChIKey | ZGOAAAJFPRGUDV-UHFFFAOYSA-N |
| XLogP | 22.45 |
| TPSA | 431.93 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 99 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2208.28 |
| LogP ≤ 5 | 22.45 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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