TL;DR: 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CAS 157557-39-6) is a chemical compound with molecular formula C28H32N2O6 and molecular weight 492.22604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide
Also Known As: 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide, N~1~,N~3~-bis[2-(3,4-dimethoxyphenyl)ethyl]isophthalamide, N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl](3-{N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl} phenyl)carboxamide
| Molecular Formula | C28H32N2O6 |
| Molecular Weight | 492.22604 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 492.22604 Da |
| Heavy Atoms | 36 |
| Complexity | 622.0 |
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)OC |
| InChIKey | HIHVMGOLEKJYCM-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide. Following Lipinski's Rule of Five, 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide is 157557-39-6.
The molecular formula of 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide is C28H32N2O6.
The molecular weight of 1-N,3-N-bis[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-dicarboxamide is 492.22604 g/mol.
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