N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
Basic information
- CAS
560072-77-7- Standard SMILES
COc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1- InChIKey
ANHCSBRBPQQMSS-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
Names & synonyms
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide560072-77-7N-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamideCambridge id 7251160Oprea1_807848MLS001208804CHEMBL1402399DTXSID601325673HMS2844B20N-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-propionamideSTK227533AKOS000656799
Show more names
SMR000525001ST033011AO-548/41445417Z27646345N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-(4-methoxyphenyl)propanamide
Database identifiers
- CAS
560072-77-7- PubChem CID
- 674577
- DTXSID
DTXSID601325673- ChEMBL
CHEMBL1402399
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility7.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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