Basic information
- CAS
3689-97-2- Standard SMILES
CCC(=O)NC(C)Cc1ccc2c(c1)OCO2- InChIKey
IYYKBCJFAZVSPN-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acid
- IUPAC
- N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propanamide
- English name
- N-(α-Methyl-3,4-methylenedioxyphenethyl)propionamide
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.27898
Names & synonyms
3689-97-2DTXSID50958087N-(1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl)propanimidic acidN-[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl]propanimidic acidRefChem:1090766DTXCID301386004SA-8BRN 1384231SA 8Propanamide, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-N-(alpha-Methyl-3,4-(methylenedioxy)phenethyl)propionamidePropionamide, N-(alpha-methyl-3,4-(methylenedioxy)phenethyl)-
Show more names
N-(α-Methyl-3,4-methylenedioxyphenethyl)propionamide
Oprea1_3310925-19-08-00418 (Beilstein Handbook Reference)N-(alpha-Methyl-3,4-methylenedioxyphenethyl)propionamideSCHEMBL25858222
Database identifiers
- CAS
3689-97-2- PubChem CID
- 199094
- DTXSID
DTXSID50958087- Nikkaji
- J156.651B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Chemistry & industry
Suppliers1 total
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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