C137H213F3N16O17 — CID 161429567
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 161429567) has the molecular formula C137H213F3N16O17 and a molecular weight of 2413.30 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
| Compound Name | N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide |
|---|---|
| PubChem CID | 161429567 |
| Molecular Formula | C137H213F3N16O17 |
| Molecular Weight | 2413.30 g/mol |
| Exact Mass | 2411.62 |
| IUPAC Name | N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide |
| SMILES | CC(C)C(=O)NC1(Cc2ccccc2)CC1.CC(C)C(=O)NCC(C)(C)c1ccccn1.CC(C)C(=O)NCCO.CC(C)C(=O)NCCc1ccc(C(F)(F)F)cc1.CC(C)C(=O)NCCc1ccccn1.CC(C)C(=O)N[C@@H](C)Cc1ccccn1.CC(C)C(=O)N[C@@H](CO)Cc1ccccc1.CC(C)C(=O)N[C@H](C)Cc1ccccn1.CC(C)C(=O)N[C@H](CO)Cc1ccccc1.CC(C)CN1CCC(O)C1.COC[C@H](C)NC(=O)C(C)C.Cc1ccc(C[C@@H](CO)NC(=O)C(C)C)cc1 |
| InChI | InChI=1S/C14H21NO2.C14H19NO.C13H16F3NO.C13H20N2O.2C13H19NO2.2C12H18N2O.C11H16N2O.C8H17NO2.C8H17NO.C6H13NO2/c1-10(2)14(17)15-13(9-16)8-12-6-4-11(3)5-7-12;1-11(2)13(16)15-14(8-9-14)10-12-6-4-3-5-7-12;1-9(2)12(18)17-8-7-10-3-5-11(6-4-10)13(14,15)16;1-10(2)12(16)15-9-13(3,4)11-7-5-6-8-14-11;2*1-10(2)13(16)14-12(9-15)8-11-6-4-3-5-7-11;2*1-9(2)12(15)14-10(3)8-11-6-4-5-7-13-11;1-9(2)11(14)13-8-6-10-5-3-4-7-12-10;1-6(2)8(10)9-7(3)5-11-4;1-7(2)5-9-4-3-8(10)6-9;1-5(2)6(9)7-3-4-8/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17);3-7,11H,8-10H2,1-2H3,(H,15,16);3-6,9H,7-8H2,1-2H3,(H,17,18);5-8,10H,9H2,1-4H3,(H,15,16);2*3-7,10,12,15H,8-9H2,1-2H3,(H,14,16);2*4-7,9-10H,8H2,1-3H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3,(H,13,14);6-7H,5H2,1-4H3,(H,9,10);7-8,10H,3-6H2,1-2H3;5,8H,3-4H2,1-2H3,(H,7,9)/t13-;;;;2*12-;2*10-;;7-;;/m0...1010.0../s1 |
| InChIKey | VXVFEXZXZBAZDK-XMCWELNASA-N |
| XLogP | 18.30 |
| TPSA | 485.28 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2413.30 |
| LogP ≤ 5 | 18.30 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 22 |