C45H92FmN7O21- — CID 171850451
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol (PubChem CID 171850451) has the molecular formula C45H92FmN7O21- and a molecular weight of 1324.26 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol.
| Compound Name | N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol |
|---|---|
| PubChem CID | 171850451 |
| Molecular Formula | C45H92FmN7O21- |
| Molecular Weight | 1324.26 g/mol |
| Exact Mass | 1323.73 |
| IUPAC Name | N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol |
| SMILES | CCN(C)C(=O)CN(C)C(=O)CN(C)[C-]=O.CN(C=O)CC(=O)N(C)CC=O.CNCCOCCOCCOCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.CO.[Fm] |
| InChI | InChI=1S/C27H58N2O14.C10H18N3O3.C7H12N2O3.CH4O.Fm/c1-28-4-8-38-10-12-40-14-16-42-18-19-43-17-15-41-13-11-39-9-5-29(20-24(34)26(36)22(32)2-6-30)21-25(35)27(37)23(33)3-7-31;1-5-12(3)10(16)7-13(4)9(15)6-11(2)8-14;1-8(6-11)5-7(12)9(2)3-4-10;1-2;/h22-28,30-37H,2-21H2,1H3;5-7H2,1-4H3;4,6H,3,5H2,1-2H3;2H,1H3;/q;-1;;; |
| InChIKey | YEBKNYNHIFDLRE-UHFFFAOYSA-N |
| XLogP | -7.20 |
| TPSA | 371.34 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 74 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1324.26 |
| LogP ≤ 5 | -7.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'} |
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