tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate
TL;DR: tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate (CAS 87694-53-9) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: BOC-PHE-N(OCH3)CH3, tert-butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, N-Boc-N-methoxy-N-methyl-L-phenylalaninamide, NCI60_019230, N-Boc-DL-phenylalanine N-methoxy-N-methylamide
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 87694-53-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)OC |
| InChIKey | ZAHRDPIWMGLOQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate (CAS 87694-53-9), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: tert-butyl N-[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate
Property Insights of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate. Following Lipinski's Rule of Five, tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate has 1 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 tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate?
The CAS number of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate is 87694-53-9.
What is the molecular formula of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate?
The molecular formula of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate is C16H24N2O4.
What is the molecular weight of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate?
The molecular weight of tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate is 308.17 g/mol.
Where can I buy tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate?
You can request a quote for tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.