TL;DR: 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide (CAS 130688-11-8) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dimethyl-4-phenyloxan-4-yl)acetamide
Also Known As: BAS 01312642, 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetamide, 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide, 2-(2,2-Dimethyl-4-phenyl-tetrahydro-pyran-4-yl)-acetamide, 2-(2,2-dimethyl-4-phenyl-2H-3,4,5,6-tetrahydropyran-4-yl)acetamide
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.15723 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.15723 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CC1(CC(CCO1)(CC(=O)N)C2=CC=CC=C2)C |
| InChIKey | YZRKIWYGJDTNIJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide. With a topological polar surface area (TPSA) of 52.3 Ų, 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide is 130688-11-8.
The molecular formula of 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide is C15H21NO2.
The molecular weight of 2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide is 247.15723 g/mol.
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