TL;DR: N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide (CAS 1040250-69-8) is a chemical compound with molecular formula C31H33N3O6 and molecular weight 543.23694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide, N-(3-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, GNF-Pf-978
| Molecular Formula | C31H33N3O6 |
| Molecular Weight | 543.23694 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.23694 Da |
| Heavy Atoms | 40 |
| Complexity | 871.0 |
| SMILES | CC(=O)NC1=CC(=CC=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCCC3)C(=O)C4COC5=CC=CC=C5O4 |
| InChIKey | UEWLETUDZMBQAP-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide. Following Lipinski's Rule of Five, N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide is 1040250-69-8.
The molecular formula of N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide is C31H33N3O6.
The molecular weight of N-[3-(Acetylamino)phenyl]-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide is 543.23694 g/mol.
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