TL;DR: 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate (CAS 119265-75-7) is a chemical compound with molecular formula C25H31N3O7 and molecular weight 485.2162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide;oxalic acid
Also Known As: 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate, Benzamide, 2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)-N-1H-indol-4-yl-, ethanedioate (salt), 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid, Oxalic acid--2-{2-hydroxy-3-[(2-methylbutan-2-yl)amino]propoxy}-N-(1H-indol-4-yl)benzene-1-carboximidic acid (1/1)
| Molecular Formula | C25H31N3O7 |
| Molecular Weight | 485.2162 g/mol |
| XLogP | 3.0937 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.2162 Da |
| Heavy Atoms | 35 |
| Complexity | 599.0 |
| SMILES | CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O.C(=O)(C(=O)O)O |
| InChIKey | QHXOVYPRDORCOF-UHFFFAOYSA-N |
The XLogP value of 3.0937 indicates that 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate is 119265-75-7.
The molecular formula of 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate is C25H31N3O7.
The molecular weight of 2-(3-((1,1-Dimethylpropyl)amino)-2-hydroxypropoxy)-N-(1H-indol-4-yl)benzamide oxalate is 485.2162 g/mol.
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