C140H266N8O11 — CID 161460753
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide (PubChem CID 161460753) has the molecular formula C140H266N8O11 and a molecular weight of 2237.71 g/mol. Its IUPAC name is N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide.
| Compound Name | N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide |
|---|---|
| PubChem CID | 161460753 |
| Molecular Formula | C140H266N8O11 |
| Molecular Weight | 2237.71 g/mol |
| Exact Mass | 2236.05 |
| IUPAC Name | N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide |
| SMILES | CCC1(CNC(C)=O)CCCCC1.CCCCCC(=O)NCC1(CC)CCCCC1.CCCCCCC(=O)NCC1(CC)CCCCC1.CCCCCCCC(=O)NCC1(CC(C)=O)CCCCC1.CCCCCCCCC(=O)NCC1(CC(C)=O)CCCCC1.CCCCCCCCCC(=O)NCC1(CC(C)=O)CCCCC1.CCCCCCCCCCC(=O)NCC1(CC)CCCCC1.CCCCCCCCCCCC(=O)NCC1(CC)CCCCC1 |
| InChI | InChI=1S/C21H41NO.C20H37NO2.C20H39NO.C19H35NO2.C18H33NO2.C16H31NO.C15H29NO.C11H21NO/c1-3-5-6-7-8-9-10-11-13-16-20(23)22-19-21(4-2)17-14-12-15-18-21;1-3-4-5-6-7-8-10-13-19(23)21-17-20(16-18(2)22)14-11-9-12-15-20;1-3-5-6-7-8-9-10-12-15-19(22)21-18-20(4-2)16-13-11-14-17-20;1-3-4-5-6-7-9-12-18(22)20-16-19(15-17(2)21)13-10-8-11-14-19;1-3-4-5-6-8-11-17(21)19-15-18(14-16(2)20)12-9-7-10-13-18;1-3-5-6-8-11-15(18)17-14-16(4-2)12-9-7-10-13-16;1-3-5-7-10-14(17)16-13-15(4-2)11-8-6-9-12-15;1-3-11(9-12-10(2)13)7-5-4-6-8-11/h3-19H2,1-2H3,(H,22,23);3-17H2,1-2H3,(H,21,23);3-18H2,1-2H3,(H,21,22);3-16H2,1-2H3,(H,20,22);3-15H2,1-2H3,(H,19,21);3-14H2,1-2H3,(H,17,18);3-13H2,1-2H3,(H,16,17);3-9H2,1-2H3,(H,12,13) |
| InChIKey | WBTUGUVUCRNWOP-UHFFFAOYSA-N |
| XLogP | 37.69 |
| TPSA | 284.01 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2237.71 |
| LogP ≤ 5 | 37.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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