TL;DR: N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CAS 706762-23-4) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide, AP-970/42736697, N-[3-methoxy-4-(valerylamino)phenyl]-piperonylamide, N-[3-methoxy-4-(1-oxopentylamino)phenyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C20H22N2O5 |
| Molecular Weight | 370.15286 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.15286 Da |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
| SMILES | CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)OC |
| InChIKey | CLPPCSHQQGAJLU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide 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-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 706762-23-4.
The molecular formula of N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is C20H22N2O5.
The molecular weight of N-[3-methoxy-4-(pentanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 370.15286 g/mol.
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