1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
TL;DR: 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide (CAS 897741-65-0) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
Also Known As: 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide, 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide, 1-BUTYL-N-(4-METHYLBENZYL)-5-OXO-3-PYRROLIDINECARBOXAMIDE, (1-butyl-5-oxopyrrolidin-3-yl)-N-[(4-methylphenyl)methyl]carboxamide
| Molecular Formula | C17H24N2O2 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | 2.25982 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.18378 |
| Heavy Atoms | 21 |
| Complexity | 496.0165 |
Chemical Identifiers
| CAS Number | 897741-65-0 |
|---|---|
| SMILES | CCCCN1CC(CC1=O)C(=O)NCC2=CC=C(C=C2)C |
Product Overview
1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide (CAS 897741-65-0), with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol. IUPAC: 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
Property Insights of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
The XLogP value of 2.25982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide. With a topological polar surface area (TPSA) of 49.41 Ų, 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide 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
Frequently Asked Questions
What is the CAS number of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide?
The CAS number of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide is 897741-65-0.
What is the molecular formula of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide?
The molecular formula of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide is C17H24N2O2.
What is the molecular weight of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide?
The molecular weight of 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide is 288.18 g/mol.
Where can I buy 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide?
You can request a quote for 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.