N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide (CAS 331869-63-7) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)oxamide
Also Known As: BAS 00654702, BIM-0020474.P001, N'-(1,3-benzodioxol-5-ylmethyl)-N-phenethyloxamide, N-Benzo[1,3]dioxol-5-ylmethyl-N'-phenethyl-oxalamide, N'-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)oxamide
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.3904 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 731.0535 |
Chemical Identifiers
| CAS Number | 331869-63-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=O)NCCC3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide (CAS 331869-63-7), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: N'-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylethyl)oxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide
The XLogP value of 1.3904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide is 331869-63-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide is C18H18N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide is 326.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-phenylethyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.