2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide
TL;DR: 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide (CAS 81576-47-8) is a chemical compound with molecular formula C21H27NO and molecular weight 309.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)propanamide
Also Known As: Ibuprofen Impurity 44, Ibuprofen impurity 127, (Mixture of 4 Diastereomers), N-(1-Phenylethyl) Ibuprofen Amide, 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide
| Molecular Formula | C21H27NO |
|---|---|
| Molecular Weight | 309.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.20926 |
| Heavy Atoms | 23 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 81576-47-8 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC(C)C2=CC=CC=C2 |
| InChIKey | BLNIYEIMTLMHGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide (CAS 81576-47-8), with molecular formula C21H27NO and molecular weight 309.21 g/mol. IUPAC: 2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)propanamide.
Chemical Property Profile of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide
Property Insights of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide
The XLogP value of 5.2 indicates that 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide?
The CAS number of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide is 81576-47-8.
What is the molecular formula of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide?
The molecular formula of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide is C21H27NO.
What is the molecular weight of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide?
The molecular weight of 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide is 309.21 g/mol.
Where can I buy 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide?
You can request a quote for 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.