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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO
Molecular Weight 203.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-Ethyl-N-(3-methylphenyl)-2-butenamide, (2E)-

SMILES

CCN(C(=O)\C=C\C)C1=CC(C)=CC=C1

InChI

InChIKey=DAETVMPIUYVYJI-QPJJXVBHSA-N
InChI=1S/C13H17NO/c1-4-7-13(15)14(5-2)12-9-6-8-11(3)10-12/h4,6-10H,5H2,1-3H3/b7-4+

HIDE SMILES / InChI

Molecular Formula C13H17NO
Molecular Weight 203.2802
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:52 UTC 2023
Edited
by admin
on Sat Dec 16 19:49:52 UTC 2023
Record UNII
3QD8J8A7VH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Ethyl-N-(3-methylphenyl)-2-butenamide, (2E)-
Systematic Name English
(2E)-N-Ethyl-N-(3-methylphenyl)-2-butenamide
Systematic Name English
2-Butenamide, N-ethyl-N-(3-methylphenyl)-, (2E)-
Systematic Name English
CROTAMITON IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1195353-67-3
Created by admin on Sat Dec 16 19:49:52 UTC 2023 , Edited by admin on Sat Dec 16 19:49:52 UTC 2023
PRIMARY
FDA UNII
3QD8J8A7VH
Created by admin on Sat Dec 16 19:49:52 UTC 2023 , Edited by admin on Sat Dec 16 19:49:52 UTC 2023
PRIMARY
PUBCHEM
5961546
Created by admin on Sat Dec 16 19:49:52 UTC 2023 , Edited by admin on Sat Dec 16 19:49:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY