Basic information
- CAS
5588-21-6- Standard SMILES
COc1cc(C=CC(N)=O)cc(OC)c1OC- InChIKey
LRLKZVMLJBNNPE-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 3-(3,4,5-Trimethoxyphenyl)prop-2-enamide
- IUPAC
- 3-(3,4,5-trimethoxyphenyl)prop-2-enamide
- English name
- Cintramide
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
3-(3,4,5-trimethoxyphenyl)prop-2-enamide3-(3,4,5-Trimethoxyphenyl)acrylamideorb3181731SCHEMBL4035373DTXSID80859917NS00123281C.I.34746CintramideCintriamide3-(3,4,5-Trimethoxyphenyl)propenamide2-Propenamide, 3-(3,4,5-trimethoxyphenyl)-(E)-3-(3, 4, 5-trimethoxyphenyl)acrylamide
Database identifiers
- CAS
5588-21-6- PubChem CID
- 21783
- DTXSID
DTXSID80859917
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- FDA UNII
- 731 Q8KH51G · 731Q8KH51G
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers3 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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