C145H182ClF30N11O22 — CID 161435446
N,N-dimethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-(2-methoxyethyl)-3-[4-(trifluoromethoxy)phenyl]butanamide;1-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;hydrochloride (PubChem CID 161435446) has the molecular formula C145H182ClF30N11O22 and a molecular weight of 3036.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-(2-methoxyethyl)-3-[4-(trifluoromethoxy)phenyl]butanamide;1-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;hydrochloride.
| Compound Name | N,N-dimethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-(2-methoxyethyl)-3-[4-(trifluoromethoxy)phenyl]butanamide;1-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;hydrochloride |
|---|---|
| PubChem CID | 161435446 |
| Molecular Formula | C145H182ClF30N11O22 |
| Molecular Weight | 3036.50 g/mol |
| Exact Mass | 3034.27 |
| IUPAC Name | N,N-dimethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-ethyl-3-[4-(trifluoromethoxy)phenyl]butanamide;N-(2-methoxyethyl)-3-[4-(trifluoromethoxy)phenyl]butanamide;1-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]butan-1-one;N-methyl-3-[4-(trifluoromethoxy)phenyl]butanamide;1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;1-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one;hydrochloride |
| SMILES | CC(CC(=O)N(C)C)c1ccc(OC(F)(F)F)cc1.CC(CC(=O)N1CCCC1)c1ccc(OC(F)(F)F)cc1.CC(CC(=O)N1CCCCC1)c1ccc(OC(F)(F)F)cc1.CC(CC(=O)N1CCN(C)CC1)c1ccc(OC(F)(F)F)cc1.CC(CC(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1.CC1CCN(C(=O)CC(C)c2ccc(OC(F)(F)F)cc2)CC1.CCN(C)C(=O)CC(C)c1ccc(OC(F)(F)F)cc1.CCNC(=O)CC(C)c1ccc(OC(F)(F)F)cc1.CNC(=O)CC(C)c1ccc(OC(F)(F)F)cc1.COCCNC(=O)CC(C)c1ccc(OC(F)(F)F)cc1.Cl |
| InChI | InChI=1S/C17H22F3NO2.C16H21F3N2O2.C16H20F3NO2.C15H18F3NO3.C15H18F3NO2.C14H18F3NO3.C14H18F3NO2.2C13H16F3NO2.C12H14F3NO2.ClH/c1-12-7-9-21(10-8-12)16(22)11-13(2)14-3-5-15(6-4-14)23-17(18,19)20;1-12(11-15(22)21-9-7-20(2)8-10-21)13-3-5-14(6-4-13)23-16(17,18)19;1-12(11-15(21)20-9-3-2-4-10-20)13-5-7-14(8-6-13)22-16(17,18)19;1-11(10-14(20)19-6-8-21-9-7-19)12-2-4-13(5-3-12)22-15(16,17)18;1-11(10-14(20)19-8-2-3-9-19)12-4-6-13(7-5-12)21-15(16,17)18;1-10(9-13(19)18-7-8-20-2)11-3-5-12(6-4-11)21-14(15,16)17;1-4-18(3)13(19)9-10(2)11-5-7-12(8-6-11)20-14(15,16)17;1-9(8-12(18)17(2)3)10-4-6-11(7-5-10)19-13(14,15)16;1-3-17-12(18)8-9(2)10-4-6-11(7-5-10)19-13(14,15)16;1-8(7-11(17)16-2)9-3-5-10(6-4-9)18-12(13,14)15;/h3-6,12-13H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,2-4,9-11H2,1H3;2-5,11H,6-10H2,1H3;4-7,11H,2-3,8-10H2,1H3;3-6,10H,7-9H2,1-2H3,(H,18,19);5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9H,3,8H2,1-2H3,(H,17,18);3-6,8H,7H2,1-2H3,(H,16,17);1H |
| InChIKey | KSSBMJYMTTUDKJ-UHFFFAOYSA-N |
| XLogP | 33.95 |
| TPSA | 343.47 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3036.50 |
| LogP ≤ 5 | 33.95 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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