TL;DR: n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide (CAS 106777-10-0) is a chemical compound with molecular formula C14H19NO and molecular weight 217.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dimethylphenyl)-N,3-dimethylbut-2-enamide
Also Known As: n-(3,4-dimethylphenyl)-n,3-dimethylbut-2-enamide
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.14667 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CC1=C(C=C(C=C1)N(C)C(=O)C=C(C)C)C |
| InChIKey | KHEHQIIJEOPILV-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide is 106777-10-0.
The molecular formula of n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide is C14H19NO.
The molecular weight of n-(3,4-Dimethylphenyl)-n,3-dimethylbut-2-enamide is 217.14667 g/mol.
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