C179H388N18O27 — CID 167562954
N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine (PubChem CID 167562954) has the molecular formula C179H388N18O27 and a molecular weight of 3225.17 g/mol. Its IUPAC name is N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine.
| Compound Name | N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine |
|---|---|
| PubChem CID | 167562954 |
| Molecular Formula | C179H388N18O27 |
| Molecular Weight | 3225.17 g/mol |
| Exact Mass | 3222.95 |
| IUPAC Name | N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine |
| SMILES | CC(C)(C)CCCOCCCNC(C)(C)C.CC(C)(C)NCCCCCNC(=O)COC(C)(C)C.CC(C)(C)NCCCCOCCCCOC(C)(C)C.CC(C)(C)NCCCCOCCCOC(C)(C)C.CC(C)(C)NCCCCOCCNC(=O)COC(C)(C)C.CC(C)(C)NCCCCOCCNC(C)(C)C.CC(C)(C)NCCCOCCCC(=O)COC(C)(C)C.CC(C)(C)NCCCOCCCNC(=O)COC(C)(C)C.CC(C)(C)NCCCOCCOCCOC(C)(C)C.CC(C)(C)NCCOCCCCC(=O)COC(C)(C)C.CC(C)(C)NCCOCCNC(=O)COC(C)(C)C.CC(C)(C)NCCOCCNC(C)(C)C |
| InChI | InChI=1S/2C16H34N2O3.2C16H33NO3.C16H35NO2.C15H32N2O2.C15H33NO3.C15H33NO2.C14H30N2O3.C14H32N2O.C14H31NO.C12H28N2O/c1-15(2,3)18-10-8-12-20-11-7-9-17-14(19)13-21-16(4,5)6;1-15(2,3)18-9-7-8-11-20-12-10-17-14(19)13-21-16(4,5)6;1-15(2,3)17-10-8-12-19-11-7-9-14(18)13-20-16(4,5)6;1-15(2,3)17-10-12-19-11-8-7-9-14(18)13-20-16(4,5)6;1-15(2,3)17-11-7-8-12-18-13-9-10-14-19-16(4,5)6;1-14(2,3)17-11-9-7-8-10-16-13(18)12-19-15(4,5)6;1-14(2,3)16-8-7-9-17-10-11-18-12-13-19-15(4,5)6;1-14(2,3)16-10-7-8-11-17-12-9-13-18-15(4,5)6;1-13(2,3)16-8-10-18-9-7-15-12(17)11-19-14(4,5)6;1-13(2,3)15-9-7-8-11-17-12-10-16-14(4,5)6;1-13(2,3)9-7-11-16-12-8-10-15-14(4,5)6;1-11(2,3)13-7-9-15-10-8-14-12(4,5)6/h2*18H,7-13H2,1-6H3,(H,17,19);2*17H,7-13H2,1-6H3;17H,7-14H2,1-6H3;17H,7-12H2,1-6H3,(H,16,18);16H,7-13H2,1-6H3;16H,7-13H2,1-6H3;16H,7-11H2,1-6H3,(H,15,17);15-16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;13-14H,7-10H2,1-6H3 |
| InChIKey | DXDYGTIYYKWPQM-UHFFFAOYSA-N |
| XLogP | 31.60 |
| TPSA | 512.79 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 106 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3225.17 |
| LogP ≤ 5 | 31.60 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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