Basic information
- CAS
42018-29-1- Standard SMILES
CC(=O)c1ccc(OCC(=O)NC2CCCC2)cc1- InChIKey
IFWXJKZUOZFMAI-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- Acetamide, 2-(4-acetylphenoxy)-N-cyclopentyl-
- IUPAC
- 2-(4-acetylphenoxy)-N-cyclopentylacetamide
- English name
- 4'-(Cyclopentylcarbamoylmethoxy)acetophenone
- Molecular formula
- C15H19NO3
- Molecular weight
- 261.32
Names & synonyms
Acetamide, 2-(4-acetylphenoxy)-N-cyclopentyl-42018-29-14'-CyclopentylcarbamoylmethoxyacetophenoneBRN 2135129N-(2-(p-Acetylphenoxy)acetyl)cyclopentylamineDTXSID90194826RefChem:314432DTXCID301173172-(4-acetylphenoxy)-N-cyclopentylacetamideAKOS0002099444'-(Cyclopentylcarbamoylmethoxy)acetophenoneZ19661700
Database identifiers
- CAS
42018-29-1- PubChem CID
- 39086
- DTXSID
DTXSID90194826- Nikkaji
- J90.728F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 502 · 502.0±33.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.20(Predicted)
Chemistry & industry
Suppliers1 total
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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