C241H412N18O41 — CID 157265992
2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;2-(2-butoxyethoxy)-N-methylacetamide;1-(4-methoxybutyl)-3-(4-methylphenyl)benzene;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine (PubChem CID 157265992) has the molecular formula C241H412N18O41 and a molecular weight of 4218.03 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;2-(2-butoxyethoxy)-N-methylacetamide;1-(4-methoxybutyl)-3-(4-methylphenyl)benzene;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine.
| Compound Name | 2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;2-(2-butoxyethoxy)-N-methylacetamide;1-(4-methoxybutyl)-3-(4-methylphenyl)benzene;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine |
|---|---|
| PubChem CID | 157265992 |
| Molecular Formula | C241H412N18O41 |
| Molecular Weight | 4218.03 g/mol |
| Exact Mass | 4215.07 |
| IUPAC Name | 2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;2-(2-butoxyethoxy)-N-methylacetamide;1-(4-methoxybutyl)-3-(4-methylphenyl)benzene;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine |
| SMILES | CC1CCN(C2CCN(C)CC2)CC1.CC1CCN(CC2CCN(C)CC2)CC1.CC1CCN(CCC2CCN(C)CC2)CC1.CC1CCN(CCN2CCC(C)CC2)CC1.CC1CCN(CCN2CCN(C)CC2)CC1.CCCCOCCOCC(=O)NC.CCCCOCCOCCOCC(=O)NC.CCCCOCCOCCOCCOCC(=O)NC.CCCCOCCOCCOCCOCCOCC(=O)NC.CCCCOCCOCCOCCOCCOCCOCC(=O)NC.COCCCCc1cccc(-c2ccc(C)cc2)c1.COCCCN1CCN(c2ccc(C)cc2)CC1.COCCCOCCCOc1ccc(-c2ccc(C)cc2)cc1.COCCCOCCOc1ccccc1COc1ccc(C)cc1.COCCOCCOc1cccc(OCCOc2ccc(C)cc2)c1.Cc1ccc(OCCCOc2cccc(C)c2)cc1 |
| InChI | InChI=1S/C20H26O5.C20H26O4.C20H26O3.C18H22O.C17H35NO7.C17H20O2.C15H24N2O.C15H31NO6.2C14H28N2.C13H27N3.C13H26N2.C13H27NO5.C12H24N2.C11H23NO4.C9H19NO3/c1-17-6-8-18(9-7-17)23-14-15-25-20-5-3-4-19(16-20)24-13-12-22-11-10-21-2;1-17-8-10-19(11-9-17)24-16-18-6-3-4-7-20(18)23-15-14-22-13-5-12-21-2;1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-4-15-22-14-3-13-21-2;1-15-9-11-17(12-10-15)18-8-5-7-16(14-18)6-3-4-13-19-2;1-3-4-5-20-6-7-21-8-9-22-10-11-23-12-13-24-14-15-25-16-17(19)18-2;1-14-7-9-16(10-8-14)18-11-4-12-19-17-6-3-5-15(2)13-17;1-14-4-6-15(7-5-14)17-11-9-16(10-12-17)8-3-13-18-2;1-3-4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-14-15(17)16-2;1-13-3-10-16(11-4-13)12-7-14-5-8-15(2)9-6-14;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-13-3-5-15(6-4-13)11-12-16-9-7-14(2)8-10-16;1-12-3-9-15(10-4-12)11-13-5-7-14(2)8-6-13;1-3-4-5-16-6-7-17-8-9-18-10-11-19-12-13(15)14-2;1-11-3-9-14(10-4-11)12-5-7-13(2)8-6-12;1-3-4-5-14-6-7-15-8-9-16-10-11(13)12-2;1-3-4-5-12-6-7-13-8-9(11)10-2/h3-9,16H,10-15H2,1-2H3;3-4,6-11H,5,12-16H2,1-2H3;5-12H,3-4,13-16H2,1-2H3;5,7-12,14H,3-4,6,13H2,1-2H3;3-16H2,1-2H3,(H,18,19);3,5-10,13H,4,11-12H2,1-2H3;4-7H,3,8-13H2,1-2H3;3-14H2,1-2H3,(H,16,17);2*13-14H,3-12H2,1-2H3;13H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;3-12H2,1-2H3,(H,14,15);11-12H,3-10H2,1-2H3;3-10H2,1-2H3,(H,12,13);3-8H2,1-2H3,(H,10,11) |
| InChIKey | AXZROOUJRZWWNT-UHFFFAOYSA-N |
| XLogP | 35.65 |
| TPSA | 519.90 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 132 |
| Heavy Atoms | 300 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4218.03 |
| LogP ≤ 5 | 35.65 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 54 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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