TL;DR: 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) (CAS 130260-08-1) is a chemical compound with molecular formula C36H52N6O16 and molecular weight 824.344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide);oxalic acid
Also Known As: 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3), Benzamide, 5-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, ethanedioate (2:3), 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide; oxalic acid, Oxalic acid--5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzene-1-carboximidic acid (3/2)
| Molecular Formula | C36H52N6O16 |
| Molecular Weight | 824.344 g/mol |
| XLogP | 0.4498 |
| Topological Polar Surface Area (TPSA) | 359.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 824.344 Da |
| Heavy Atoms | 58 |
| Complexity | 396.0 |
| SMILES | CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N)OC.CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | UUDIEWDKTWVGEH-UHFFFAOYSA-N |
The XLogP value of 0.4498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3). The TPSA of 359.0 Ų indicates high polarity, suggesting 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) is 130260-08-1.
The molecular formula of 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) is C36H52N6O16.
The molecular weight of 5-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3) is 824.344 g/mol.
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