Basic information
- CAS
34185-02-9- Standard SMILES
CC(=O)NCc1ccc(OCC(O)CNC(C)C)cc1- InChIKey
IGUMCQGTANJTCY-UHFFFAOYSA-N- Molecular formula
- C15H24N2O3
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.17869263
Names & identifiers
- Preferred name
- Acetamide, N-(2-(3-((1,1-dimethylethyl)amino)-2-
- IUPAC
- N-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]acetamide
- English name
- N-[p-[2-Hydroxy-3-(isopropylamino)propoxy]benzyl]acetamide
- Molecular formula
- C15H24N2O3
- Molecular weight
- 280.36
Names & synonyms
DTXSID8087474639617-16-8RefChem:1075323DTXCID101012871Acetamide, N-(2-(3-((1,1-dimethylethyl)amino)-2-34185-02-9ICI 72860BRN 2749349N-((4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)methyl)acetamideN-(p-(2-Hydroxy-3-(isopropylamino)propoxy)benzyl)acetamideACETAMIDE, N-(p-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)BENZYL)-Acetamide, N-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)methyl)-
Show more names
ICI-72860N-[p-[2-Hydroxy-3-(isopropylamino)propoxy]benzyl]acetamideAcetamide, N-[[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]methyl]-
CHEMBL3275031N-[(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)methyl]acetamideN-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]phenyl]acetamide
Database identifiers
- CAS
34185-02-9、39617-16-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
LogP0.32
Physicochemical properties
- Melting point
- 92 · 92-94 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 507.4 · 507.4±50.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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