U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO
Molecular Weight 309.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1-Phenylethyl)ibuprofen amide, (R,S)-

SMILES

CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChIKey=BLNIYEIMTLMHGY-DLBZAZTESA-N
InChI=1S/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)/t16-,17+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-(1-Phenylethyl)ibuprofen amide, (R,S)-
Common Name English
(R,S)-N-(1-Phenylethyl)ibuprofen amide
Preferred Name English
(?S)-?-Methyl-4-(2-methylpropyl)-N-[(1R)-1-phenylethyl]benzeneacetamide
Systematic Name English
Benzeneacetamide, ?-methyl-4-(2-methylpropyl)-N-(1-phenylethyl)-, [R-(R*,S*)]-
Systematic Name English
Benzeneacetamide, ?-methyl-4-(2-methylpropyl)-N-[(1R)-1-phenylethyl]-, (?S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZJW5L4KC59
Created by admin on Wed Apr 02 17:09:49 GMT 2025 , Edited by admin on Wed Apr 02 17:09:49 GMT 2025
PRIMARY
PUBCHEM
1207294
Created by admin on Wed Apr 02 17:09:49 GMT 2025 , Edited by admin on Wed Apr 02 17:09:49 GMT 2025
PRIMARY
CAS
121734-79-0
Created by admin on Wed Apr 02 17:09:49 GMT 2025 , Edited by admin on Wed Apr 02 17:09:49 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966