TL;DR: N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide (CAS 1005301-48-3) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dimethyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
Also Known As: 3,4-dimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide, 3,4-dimethyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide, F2049-0360
| Molecular Formula | C22H26N2O2 |
| Molecular Weight | 350.19943 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.19943 Da |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)C |
| InChIKey | IFPBTFWDHIDQMV-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide 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 N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide is 1005301-48-3.
The molecular formula of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide is C22H26N2O2.
The molecular weight of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3,4-dimethylbenzamide is 350.19943 g/mol.
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