N-(tert-butyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
Basic information
- CAS
860787-05-9- Standard SMILES
COc1ccc2[nH]cc(CCNC(=O)NC(C)(C)C)c2c1- InChIKey
HWMSBYRXWQVLAQ-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2
- Average molar mass
- 289.37 g/mol
Names & identifiers
- Preferred name
- N-(tert-butyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
- IUPAC
- 1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
- English name
- N-(tert-Butyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
- Molecular formula
- C16H23N3O2
- Molecular weight
- 289.37
Names & synonyms
860787-05-9N-(tert-butyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea3-tert-butyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]ureaMFCD014817001-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]ureaAKOS005081667SR-0100030899112W-0831SR-01000308991-1N-(t-Butyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea1-(Tert-butyl)-3-(2-(5-methoxy-1H-indol-3-yl)ethyl)ureaUrea, N-(1,1-dimethylethyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-
Database identifiers
- CAS
860787-05-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 538.6 · 538.6±40.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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