TL;DR: N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide (CAS 1024828-71-4) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.11682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: N-(2-INDOL-3-YLETHYL)-3-(6-NITROBENZO[3,4-D]1,3-DIOXOLAN-5-YL)PROP-2-ENAMIDE, N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide, N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitrobenzo[1,3]dioxol-5-yl)prop-2-enamide
| Molecular Formula | C20H17N3O5 |
| Molecular Weight | 379.11682 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.11682 Da |
| Heavy Atoms | 28 |
| Complexity | 607.0 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-] |
| InChIKey | JJWOLLVCRHIMLN-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide 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-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 1024828-71-4.
The molecular formula of N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is C20H17N3O5.
The molecular weight of N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 379.11682 g/mol.
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