C155H198F2N16O24 — CID 161072670
N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide;3-[7-(dimethylamino)-7-oxohept-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[5-(dimethylamino)-5-oxopent-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;ethyl 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoate;N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-ynyl]benzamide (PubChem CID 161072670) has the molecular formula C155H198F2N16O24 and a molecular weight of 2707.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide;3-[7-(dimethylamino)-7-oxohept-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[5-(dimethylamino)-5-oxopent-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;ethyl 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoate;N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-ynyl]benzamide.
| Compound Name | N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide;3-[7-(dimethylamino)-7-oxohept-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[5-(dimethylamino)-5-oxopent-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;ethyl 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoate;N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-ynyl]benzamide |
|---|---|
| PubChem CID | 161072670 |
| Molecular Formula | C155H198F2N16O24 |
| Molecular Weight | 2707.37 g/mol |
| Exact Mass | 2705.47 |
| IUPAC Name | N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide;3-[7-(dimethylamino)-7-oxohept-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[5-(dimethylamino)-5-oxopent-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;ethyl 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoate;N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-ynyl]benzamide |
| SMILES | CC(CO)NC(=O)c1cccc(C#CCCC(=O)N(C)C)c1.CC(CO)NC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1.CC(CO)NC(=O)c1cccc(C#CCCCCC(=O)N(C)C)c1.CCOC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1.CN(C)C(=O)CCC/C=C\c1cccc(C(=O)NCCF)c1.CN(C)C(=O)CCCC#Cc1cccc(C(=O)NC2CC2)c1.CN(C)C(=O)CCCC#Cc1cccc(C(=O)NCCF)c1.CN(C)C(=O)CCCC#Cc1cccc(C(=O)O)c1.CNC(=O)CCCC#Cc1cccc(C(=O)NC(C)CO)c1 |
| InChI | InChI=1S/C19H26N2O3.C18H24N2O3.C18H22N2O2.C17H23FN2O2.C17H21FN2O2.2C17H22N2O3.C17H21NO3.C15H17NO3/c1-15(14-22)20-19(24)17-11-8-10-16(13-17)9-6-4-5-7-12-18(23)21(2)3;1-14(13-21)19-18(23)16-10-7-9-15(12-16)8-5-4-6-11-17(22)20(2)3;1-20(2)17(21)10-5-3-4-7-14-8-6-9-15(13-14)18(22)19-16-11-12-16;2*1-20(2)16(21)10-5-3-4-7-14-8-6-9-15(13-14)17(22)19-12-11-18;1-13(12-20)18-17(22)15-9-6-8-14(11-15)7-4-5-10-16(21)19(2)3;1-13(12-20)19-17(22)15-9-6-8-14(11-15)7-4-3-5-10-16(21)18-2;1-4-21-17(20)15-11-8-10-14(13-15)9-6-5-7-12-16(19)18(2)3;1-16(2)14(17)10-5-3-4-7-12-8-6-9-13(11-12)15(18)19/h8,10-11,13,15,22H,4-5,7,12,14H2,1-3H3,(H,20,24);7,9-10,12,14,21H,4,6,11,13H2,1-3H3,(H,19,23);6,8-9,13,16H,3,5,10-12H2,1-2H3,(H,19,22);4,6-9,13H,3,5,10-12H2,1-2H3,(H,19,22);6,8-9,13H,3,5,10-12H2,1-2H3,(H,19,22);6,8-9,11,13,20H,5,10,12H2,1-3H3,(H,18,22);6,8-9,11,13,20H,3,5,10,12H2,1-2H3,(H,18,21)(H,19,22);8,10-11,13H,4-5,7,12H2,1-3H3;6,8-9,11H,3,5,10H2,1-2H3,(H,18,19)/b;;;7-4-;;;;; |
| InChIKey | UEWBKHAOJKZBBI-NLTLXSABSA-N |
| XLogP | 16.60 |
| TPSA | 539.80 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2707.37 |
| LogP ≤ 5 | 16.60 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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