C113H241N15O39 — CID 159265781
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide (PubChem CID 159265781) has the molecular formula C113H241N15O39 and a molecular weight of 2434.24 g/mol. Its IUPAC name is 2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide.
| Compound Name | 2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide |
|---|---|
| PubChem CID | 159265781 |
| Molecular Formula | C113H241N15O39 |
| Molecular Weight | 2434.24 g/mol |
| Exact Mass | 2432.73 |
| IUPAC Name | 2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide |
| SMILES | CNC(=O)CCCCCCOC.CNC(=O)CCCCCOC.CNC(=O)CCCCOC.CNC(=O)CCCCOCCOC.CNC(=O)CCCOC.CNC(=O)CCCOCCCOC.CNC(=O)CCCOCCOC.CNC(=O)CCOC.CNC(=O)CCOCCCCOC.CNC(=O)CCOCCCOC.CNC(=O)CCOCCOC.CNC(=O)COC.CNC(=O)COCCCCCOC.CNC(=O)COCCCCOC.CNC(=O)COCCCOC |
| InChI | InChI=1S/4C9H19NO3.C9H19NO2.3C8H17NO3.C8H17NO2.2C7H15NO3.C7H15NO2.C6H13NO2.C5H11NO2.C4H9NO2/c1-10-9(11)5-3-7-13-8-4-6-12-2;1-10-9(11)5-8-13-7-4-3-6-12-2;1-10-9(11)5-3-4-6-13-8-7-12-2;1-10-9(11)8-13-7-5-3-4-6-12-2;1-10-9(11)7-5-3-4-6-8-12-2;1-9-8(10)4-7-12-6-3-5-11-2;1-9-8(10)4-3-5-12-7-6-11-2;1-9-8(10)7-12-6-4-3-5-11-2;1-9-8(10)6-4-3-5-7-11-2;1-8-7(9)3-4-11-6-5-10-2;1-8-7(9)6-11-5-3-4-10-2;1-8-7(9)5-3-4-6-10-2;1-7-6(8)4-3-5-9-2;1-6-5(7)3-4-8-2;1-5-4(6)3-7-2/h4*3-8H2,1-2H3,(H,10,11);3-8H2,1-2H3,(H,10,11);3*3-7H2,1-2H3,(H,9,10);3-7H2,1-2H3,(H,9,10);2*3-6H2,1-2H3,(H,8,9);3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6) |
| InChIKey | KXBRRCBJELBHQI-UHFFFAOYSA-N |
| XLogP | 4.48 |
| TPSA | 658.02 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 92 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2434.24 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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