ST4028454
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Basic information
- CAS
15776-48-4- Standard SMILES
CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12- InChIKey
KVMLEEWOKYGSEL-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- ST4028454
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide
- English name
- N10-Pivaloyl tryptamine
- Molecular formula
- C15H20N2O
- Molecular weight
- 244.33
Names & synonyms
15776-48-4ST4028454DTXSID10350629RefChem:381506DTXCID10301696N-(2-(1H-Indol-3-yl)ethyl)pivalamideN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanamideN10-Pivaloyl tryptamineHMS1546A04TimTec1_004228Oprea1_345538SCHEMBL761552
Show more names
Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-
orb1908377SCHEMBL29399398TNU0617STK755028AKOS001714019CS-0272530ST45378227H63276
Database identifiers
- CAS
15776-48-4- PubChem CID
- 684659
- DTXSID
DTXSID10350629
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 483.7 · 483.7±28.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 16.48 · 16.48±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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