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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28N2O2
Molecular Weight 316.4378
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)CARBONYL)AMINO)BENZENEACETAMIDE

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC2=CC=C(CC(N)=O)C=C2

InChI

InChIKey=RLYVZCMMEXADQB-XOKHGSTOSA-N
InChI=1S/C19H28N2O2/c1-12(2)16-9-4-13(3)10-17(16)19(23)21-15-7-5-14(6-8-15)11-18(20)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H2,20,22)(H,21,23)/t13-,16+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H28N2O2
Molecular Weight 316.4378
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:07:18 GMT 2025
Edited
by admin
on Wed Apr 02 00:07:18 GMT 2025
Record UNII
FO2F2UXV3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4684
Preferred Name English
4-((((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)CARBONYL)AMINO)BENZENEACETAMIDE
Systematic Name English
BENZENEACETAMIDE, 4-((((2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)CARBONYL)AMINO)-
Systematic Name English
METHYL-2-(PROPAN-2-YL)CYCLOHEXANECARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
2234896-87-6
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
JECFA MONOGRAPH
2055
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
PRIMARY
CAS
2228058-02-2
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
PRIMARY
FDA UNII
FO2F2UXV3B
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
PRIMARY
CAS
1119711-29-3
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID401019426
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
PRIMARY
PUBCHEM
134575592
Created by admin on Wed Apr 02 00:07:18 GMT 2025 , Edited by admin on Wed Apr 02 00:07:18 GMT 2025
PRIMARY