TL;DR: [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate (CAS 1524716-70-8) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
Also Known As: 2-((2-methylbenzyl)amino)-2-oxoethyl 3,4-dimethoxybenzoate, F6609-3852, [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate, {[(2-METHYLPHENYL)METHYL]CARBAMOYL}METHYL 3,4-DIMETHOXYBENZOATE, 2-[(2-methylbenzyl)amino]-2-oxoethyl 3,4-dimethoxybenzoate
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.14197 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.14197 Da |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
| SMILES | CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)OC)OC |
| InChIKey | OKKUJHXEIVKOJM-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate has 1 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 [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate is 1524716-70-8.
The molecular formula of [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate is C19H21NO5.
The molecular weight of [2-[(2-Methylphenyl)methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate is 343.14197 g/mol.
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