TL;DR: (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide (CAS 1164489-78-4) is a chemical compound with molecular formula C30H33FN4O2 and molecular weight 500.25876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide, (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]-N-(2-fluorophenyl)-2-propenamide, (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide, (E)-2-cyano-3-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]-N-(2-fluorophenyl)acrylamide, 2-cyano-3-(3-{[4-(diethylamino)phenyl]methylidene}-2-(morpholin-4-yl)cyclopent-1-en-1-yl)-N-(2-fluorophenyl)prop-2-enamide
| Molecular Formula | C30H33FN4O2 |
| Molecular Weight | 500.25876 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.25876 Da |
| Heavy Atoms | 37 |
| Complexity | 930.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F |
| InChIKey | BZVIQTMIXILUQA-DJCYKTPPSA-N |
The XLogP value of 5.0 indicates that (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide is 1164489-78-4.
The molecular formula of (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide is C30H33FN4O2.
The molecular weight of (E)-2-cyano-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(2-fluorophenyl)prop-2-enamide is 500.25876 g/mol.
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