N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
C177H259FN20O14S3 — CID 158212678
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 158212678) has the molecular formula C177H259FN20O14S3 and a molecular weight of 3006.34 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide.
Molecular Properties
| Compound Name | N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide |
|---|---|
| PubChem CID | 158212678 |
| Molecular Formula | C177H259FN20O14S3 |
| Molecular Weight | 3006.34 g/mol |
| Exact Mass | 3003.93 |
| IUPAC Name | N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide |
| SMILES | C=C(N(C)c1ccccn1)C(C)(C)C.C=C(NCc1cccs1)C(C)(C)C.CC(C)(C)C(=O)NC1(c2ccccc2)CC1.CC(C)(C)C(=O)NC1(c2cccnc2)CC1.CC(C)(C)C(=O)NCCc1cccs1.CC(C)(C)C(=O)NCc1ccc[nH]1.CC(C)(C)C(=O)NCc1ccccc1F.CC(C)(C)C(=O)NCc1cccnc1.CC(C)(C)C(=O)NCc1ccco1.CC(C)(C)C(=O)NCc1cccs1.CC(C)(C)C(=O)Nc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.CCC(NC(=O)C(C)(C)C)c1ccccn1.C[C@@H](NC(=O)C(C)(C)C)c1ccccc1.C[C@H](NC(=O)C(C)(C)C)c1ccccc1 |
| InChI | InChI=1S/C14H19NO.C13H18N2O.C13H20N2O.3C13H19NO.C12H16FNO.C12H18N2.C11H16N2O.C11H17NOS.C11H15NO.C11H17NS.C10H16N2O.C10H15NO2.C10H15NOS/c1-13(2,3)12(16)15-14(9-10-14)11-7-5-4-6-8-11;1-12(2,3)11(16)15-13(6-7-13)10-5-4-8-14-9-10;1-5-10(11-8-6-7-9-14-11)15-12(16)13(2,3)4;3*1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;1-12(2,3)11(15)14-8-9-6-4-5-7-10(9)13;1-10(12(2,3)4)14(5)11-8-6-7-9-13-11;1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;1-11(2,3)10(13)12-7-6-9-5-4-8-14-9;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-9(11(2,3)4)12-8-10-6-5-7-13-10;1-10(2,3)9(13)12-7-8-5-4-6-11-8;2*1-10(2,3)9(12)11-7-8-5-4-6-13-8/h4-8H,9-10H2,1-3H3,(H,15,16);4-5,8-9H,6-7H2,1-3H3,(H,15,16);6-10H,5H2,1-4H3,(H,15,16);3*5-10H,1-4H3,(H,14,15);4-7H,8H2,1-3H3,(H,14,15);6-9H,1H2,2-5H3;4-7H,8H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3,(H,12,13);4-8H,1-3H3,(H,12,13);5-7,12H,1,8H2,2-4H3;4-6,11H,7H2,1-3H3,(H,12,13);2*4-6H,7H2,1-3H3,(H,11,12)/t;;;2*10-;;;;;;;;;;/m...10........../s1 |
| InChIKey | GCGPJCILMWDQIH-YFLYHHBNSA-N |
| XLogP | 38.36 |
| TPSA | 474.06 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 215 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3006.34 |
| LogP ≤ 5 | 38.36 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |
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Sources
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