C168H196F18N12O15 — CID 162198464
4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 162198464) has the molecular formula C168H196F18N12O15 and a molecular weight of 2965.45 g/mol. Its IUPAC name is 4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.
| Compound Name | 4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide |
|---|---|
| PubChem CID | 162198464 |
| Molecular Formula | C168H196F18N12O15 |
| Molecular Weight | 2965.45 g/mol |
| Exact Mass | 2963.47 |
| IUPAC Name | 4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide |
| SMILES | CC(C)CCNC(=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1.CC(C)CCNC(=O)c1ccc(Cc2cccc(OC(F)(F)F)c2)cc1.CC(C)CCNC(=O)c1ccc(Cc2ccccc2OC(F)(F)F)cc1.CCN(CC)CCCNC(=O)c1ccc(Cc2cccc(OC(F)(F)F)c2)c(C)c1.CCN(CC)CCCNC(=O)c1ccc(Cc2ccccc2)c(C)c1.COc1cccc(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)c1.Cc1cc(C(=O)NCCC(C)C)ccc1Cc1cccc(OC(F)(F)F)c1.Cc1cc(C(=O)NCCC(C)C)ccc1Cc1ccccc1OC(F)(F)F |
| InChI | InChI=1S/C23H29F3N2O2.C22H30N2O.2C21H24F3NO2.C21H23N3O2.3C20H22F3NO2/c1-4-28(5-2)13-7-12-27-22(29)20-11-10-19(17(3)14-20)15-18-8-6-9-21(16-18)30-23(24,25)26;1-4-24(5-2)15-9-14-23-22(25)21-13-12-20(18(3)16-21)17-19-10-7-6-8-11-19;1-14(2)9-10-25-20(26)18-8-7-17(15(3)11-18)12-16-5-4-6-19(13-16)27-21(22,23)24;1-14(2)10-11-25-20(26)18-9-8-16(15(3)12-18)13-17-6-4-5-7-19(17)27-21(22,23)24;1-26-20-5-2-4-18(15-20)14-17-6-8-19(9-7-17)21(25)23-10-3-12-24-13-11-22-16-24;1-14(2)11-12-24-19(25)17-7-3-15(4-8-17)13-16-5-9-18(10-6-16)26-20(21,22)23;1-14(2)10-11-24-19(25)17-8-6-15(7-9-17)12-16-4-3-5-18(13-16)26-20(21,22)23;1-14(2)11-12-24-19(25)16-9-7-15(8-10-16)13-17-5-3-4-6-18(17)26-20(21,22)23/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3,(H,27,29);6-8,10-13,16H,4-5,9,14-15,17H2,1-3H3,(H,23,25);4-8,11,13-14H,9-10,12H2,1-3H3,(H,25,26);4-9,12,14H,10-11,13H2,1-3H3,(H,25,26);2,4-9,11,13,15-16H,3,10,12,14H2,1H3,(H,23,25);3-10,14H,11-13H2,1-2H3,(H,24,25);3-9,13-14H,10-12H2,1-2H3,(H,24,25);3-10,14H,11-13H2,1-2H3,(H,24,25) |
| InChIKey | ZRGLLLVPAJRSKR-UHFFFAOYSA-N |
| XLogP | 37.67 |
| TPSA | 321.71 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2965.45 |
| LogP ≤ 5 | 37.67 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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