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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H21NO3
Molecular Weight 263.3321
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1-PROPYLBUTYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE

SMILES

CCCC(CCC)NC(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=YOBNUUGTIXQSPD-UHFFFAOYSA-N
InChI=1S/C15H21NO3/c1-3-5-12(6-4-2)16-15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C15H21NO3
Molecular Weight 263.3321
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:02:34 GMT 2025
Edited
by admin
on Mon Mar 31 20:02:34 GMT 2025
Record UNII
4E1875N4ZT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1-PROPYLBUTYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Systematic Name English
N-(HEPTAN-4-YL)BENZO(D)(1,3)DIOXOLE-5-CARBOXAMIDE
FHFI  
Preferred Name English
FEMA NO. 4232
Code English
N-(HEPTAN-4-YL)BENZO(D)(1,3)DIOXOLE-5-CARBOXAMIDE [FHFI]
Common Name English
1,3-BENZODIOXOLE-5-CARBOXAMIDE, N-(1-PROPYLBUTYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
4E1875N4ZT
Created by admin on Mon Mar 31 20:02:34 GMT 2025 , Edited by admin on Mon Mar 31 20:02:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID90225503
Created by admin on Mon Mar 31 20:02:34 GMT 2025 , Edited by admin on Mon Mar 31 20:02:34 GMT 2025
PRIMARY
PUBCHEM
22831877
Created by admin on Mon Mar 31 20:02:34 GMT 2025 , Edited by admin on Mon Mar 31 20:02:34 GMT 2025
PRIMARY
CAS
745047-51-2
Created by admin on Mon Mar 31 20:02:34 GMT 2025 , Edited by admin on Mon Mar 31 20:02:34 GMT 2025
PRIMARY
JECFA MONOGRAPH
1745
Created by admin on Mon Mar 31 20:02:34 GMT 2025 , Edited by admin on Mon Mar 31 20:02:34 GMT 2025
PRIMARY