TL;DR: 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 1005127-79-6) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7,7-trimethyl-3-oxo-N-(oxolan-2-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, AF-399/41981313, 4,7,7-TRIMETHYL-3-OXO-N-(OXOLAN-2-YLMETHYL)-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE, 4,7,7-trimethyl-3-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C15H23NO4 |
| Molecular Weight | 281.16272 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.16272 Da |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NCC3CCCO3)C)C |
| InChIKey | RBNNIWVLYVEDMY-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide. Following Lipinski's Rule of Five, 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 1005127-79-6.
The molecular formula of 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C15H23NO4.
The molecular weight of 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 281.16272 g/mol.
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