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

Details

Stereochemistry RACEMIC
Molecular Formula C12H14N2O2
Molecular Weight 218.2518
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1-CYANO-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)ACETAMIDE, (±)-

SMILES

CC(=O)NC(C)(CC1=CC=C(O)C=C1)C#N

InChI

InChIKey=IUDXXXXLDAZPQK-UHFFFAOYSA-N
InChI=1S/C12H14N2O2/c1-9(15)14-12(2,8-13)7-10-3-5-11(16)6-4-10/h3-6,16H,7H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
N-(1-CYANO-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)ACETAMIDE, (±)-
Systematic Name English
N-(1-CYANO-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)ACETAMIDE
Systematic Name English
ACETAMIDE, N-(.ALPHA.-CYANO-P-HYDROXY-.ALPHA.-METHYLPHENETHYL)-, (±)-
Systematic Name English
Code System Code Type Description
FDA UNII
K047IIK55P
Created by admin on Fri Dec 15 15:36:23 GMT 2023 , Edited by admin on Fri Dec 15 15:36:23 GMT 2023
PRIMARY
CAS
31915-40-9
Created by admin on Fri Dec 15 15:36:23 GMT 2023 , Edited by admin on Fri Dec 15 15:36:23 GMT 2023
PRIMARY
PUBCHEM
102601047
Created by admin on Fri Dec 15 15:36:23 GMT 2023 , Edited by admin on Fri Dec 15 15:36:23 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
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