C161H270F3N17O16 — CID 159551903
N-(1-benzylcyclopropyl)-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;1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 159551903) has the molecular formula C161H270F3N17O16 and a molecular weight of 2757.03 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-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;1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
| Compound Name | N-(1-benzylcyclopropyl)-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;1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide |
|---|---|
| PubChem CID | 159551903 |
| Molecular Formula | C161H270F3N17O16 |
| Molecular Weight | 2757.03 g/mol |
| Exact Mass | 2755.08 |
| IUPAC Name | N-(1-benzylcyclopropyl)-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;1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide |
| SMILES | C.C.C.C.C.C.C.C.C.C=C(NCC(C)(C)c1ccccn1)C(C)C.C=C(NCCO)C(C)C.C=C(NCCc1ccccn1)C(C)C.CC(C)C(=O)N1CCC(O)C1.CC(C)C(=O)NC1(Cc2ccccc2)CC1.CC(C)C(=O)NCCc1ccc(C(F)(F)F)cc1.CC(C)C(=O)NCCc1ccccc1.CC(C)C(=O)N[C@@H](C)Cc1ccccn1.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](CO)Cc1ccccc1.COC[C@H](C)NC(=O)C(C)C.Cc1ccc(C[C@@H](CO)NC(=O)C(C)C)cc1 |
| InChI | InChI=1S/C14H22N2.C14H21NO2.C14H19NO.C13H16F3NO.2C13H19NO2.2C12H18N2O.C12H18N2.C12H17NO.C8H15NO2.C8H17NO2.C7H15NO.9CH4/c1-11(2)12(3)16-10-14(4,5)13-8-6-7-9-15-13;1-10(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;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;1-10(2)11(3)13-9-7-12-6-4-5-8-14-12;1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;1-6(2)8(11)9-4-3-7(10)5-9;1-6(2)8(10)9-7(3)5-11-4;1-6(2)7(3)8-4-5-9;;;;;;;;;/h6-9,11,16H,3,10H2,1-2,4-5H3;4-7,10,13,16H,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);2*3-7,10,12,15H,8-9H2,1-2H3,(H,14,16);2*4-7,9-10H,8H2,1-3H3,(H,14,15);4-6,8,10,13H,3,7,9H2,1-2H3;3-7,10H,8-9H2,1-2H3,(H,13,14);6-7,10H,3-5H2,1-2H3;6-7H,5H2,1-4H3,(H,9,10);6,8-9H,3-5H2,1-2H3;9*1H4/t;13-;;;2*12-;2*10-;;;;7-;;;;;;;;;;/m.0..1000...0........../s1 |
| InChIKey | MFMPHLVXXQUVJK-NBUJELHMSA-N |
| XLogP | 28.51 |
| TPSA | 480.24 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2757.03 |
| LogP ≤ 5 | 28.51 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 23 |