2-(3-Formyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
Basic information
- CAS
333750-65-5- Standard SMILES
O=Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12- InChIKey
MENDVZRTWVWJCK-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- 2-(3-Formyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
- IUPAC
- 2-(3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
- English name
- 2-(3-Formyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
- Molecular formula
- C16H18N2O3
- Molecular weight
- 286.33
Names & synonyms
333750-65-52-(3-Formyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamideDTXSID00387666RefChem:251562DTXCID503386882-(3-Formyl-1H-indol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide2-(3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide2-(3-formyl-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide2-(3-formylindol-1-yl)-n-(tetrahydrofuran-2-ylmethyl)acetamide2-(3-formyl-1H-indol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide2-(3-formylindolyl)-N-(oxolan-2-ylmethyl)acetamideSMR000118429
Show more names
TIMTEC-BB SBB0122572-(3-formyl-1-indolyl)-N-(2-oxolanylmethyl)acetamide1H-Indole-1-acetamide, 3-formyl-N-[(tetrahydro-2-furanyl)methyl]-
Cambridge id 6510370Oprea1_042223Oprea1_633006MLS000121052SCHEMBL2560590HMS2331A08SBB012257STL168261
Database identifiers
- CAS
333750-65-5- PubChem CID
- 2900616
- DTXSID
DTXSID00387666
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 567.8 · 567.8±30.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.46(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…