N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide
Also Known As: SA-8|SA 8|Oprea1_331092|Propanamide, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-|5-19-08-00418 (Beilstein Handbook Reference)|N-(alpha-Methyl-3,4-(methylenedioxy)phenethyl)propionamide|N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide|Propionamide, N-(alpha-methyl-3,4-(methylenedioxy)phenethyl)-|N-(alpha-Methyl-3,4-methylenedioxyphenethyl)propionamide|N-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]propanamide|N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid|N-[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl]propanimidic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12085 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Monoisotopic Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 3689-97-2 |
|---|---|
| SMILES | CCC(=O)NC(C)CC1=CC2=C(C=C1)OCO2 |
| InChIKey | IYYKBCJFAZVSPN-UHFFFAOYSA-N |
Product Overview
N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid (CAS 3689-97-2), with molecular formula C13H17NO3 and molecular weight 235.12085 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide.