TL;DR: N-(2-aminoethyl)-3,4,5-trimethoxybenzamide (CAS 100325-99-3) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.12666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminoethyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(2-aminoethyl)-3,4,5-trimethoxybenzamide, N-(2-aminoethyl)-3,4,5-trimethoxy-benzamide
| Molecular Formula | C12H18N2O4 |
| Molecular Weight | 254.12666 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.12666 Da |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCCN |
| InChIKey | LWSNSHLHAABMRF-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-aminoethyl)-3,4,5-trimethoxybenzamide. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-aminoethyl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(2-aminoethyl)-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-aminoethyl)-3,4,5-trimethoxybenzamide is 100325-99-3.
The molecular formula of N-(2-aminoethyl)-3,4,5-trimethoxybenzamide is C12H18N2O4.
The molecular weight of N-(2-aminoethyl)-3,4,5-trimethoxybenzamide is 254.12666 g/mol.
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