Basic information
- CAS
94230-88-3- Standard SMILES
COc1ccc(C(=O)NCCC2=CCCCC2)cc1- InChIKey
ZGTNFZJYRNJFIV-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- N-[2-(1-Cyclohexen-1-yl)ethyl]-4-methoxybenzamide
- IUPAC
- N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybenzamide
- English name
- N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxybenzamide
- Molecular formula
- C16H21NO2
- Molecular weight
- 259.34
Names & synonyms
94230-88-3N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxybenzamideN-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzamideEINECS 303-800-0DTXSID00241092RefChem:161577DTXCID00163583303-800-0N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybenzamideMLS000676902N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methoxybenzamideNSC-620194
Show more names
Benzamide, N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-
SMR000271095F3145-1818N-(2-(cyclohex-1-en-1-yl)ethyl)-4-methoxybenzamideNSC620194XF5EC9MG4MCambridge id 6984668TimTec1_002830Oprea1_059689
Database identifiers
- CAS
94230-88-3- PubChem CID
- 359385
- DTXSID
DTXSID00241092- ChEMBL
CHEMBL1371974- UNII
- XF5EC9MG4M
- EC Number
- 303-800-0
- Nikkaji
- J382.552C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 437.2 · 437.2±38.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 15.13 · 15.13±0.46(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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