1-Benzyl-3-acetamidopyrrolidine
TL;DR: 1-Benzyl-3-acetamidopyrrolidine (CAS 114636-30-5) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-benzylpyrrolidin-3-yl)acetamide
Also Known As: 1-Benzyl-3-acetamidopyrrolidine, N-(1-benzylpyrrolidin-3-yl)acetamide, 1-Chlorohexamethylenimine, H-PHE-LEU-OH, 3-Acetamido-1-benzylpyrrolidine
Technical Specifications
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.1419 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1419 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | CC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
| InChIKey | CMSWETNAAPYFSH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-acetamidopyrrolidine
Property Insights of 1-Benzyl-3-acetamidopyrrolidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-acetamidopyrrolidine. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Benzyl-3-acetamidopyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-acetamidopyrrolidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-acetamidopyrrolidine?
The CAS number of 1-Benzyl-3-acetamidopyrrolidine is 114636-30-5.
What is the molecular formula of 1-Benzyl-3-acetamidopyrrolidine?
The molecular formula of 1-Benzyl-3-acetamidopyrrolidine is C13H18N2O.
What is the molecular weight of 1-Benzyl-3-acetamidopyrrolidine?
The molecular weight of 1-Benzyl-3-acetamidopyrrolidine is 218.1419 g/mol.
Where can I buy 1-Benzyl-3-acetamidopyrrolidine?
You can request a quote for 1-Benzyl-3-acetamidopyrrolidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-acetamidopyrrolidine?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-acetamidopyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.