2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
Basic information
- CAS
336174-21-1- Standard SMILES
O=C(Cn1nnc2ccccc21)NC1CCCCC1- InChIKey
PHXPKJIGBRSNCJ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.14806121
Names & identifiers
- Preferred name
- 2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
- IUPAC
- 2-(benzotriazol-1-yl)-N-cyclohexylacetamide
Names & synonyms
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide2-(1H-benzotriazol-1-yl)-N-cyclohexylacetamide336174-21-12-(benzotriazol-1-yl)-N-cyclohexylacetamideOprea1_258268Oprea1_816637MLS000032436CHEMBL1418983DTXSID701269492HMS2353O13STL582475AKOS000721267
Show more names
SMR000001537N-Cyclohexyl-1H-benzotriazole-1-acetamideST50309528BRD-K40858936-001-07-2Z732294252-(1,2,3-BENZOTRIAZOL-1-YL)-N-CYCLOHEXYLACETAMIDE
Database identifiers
- CAS
336174-21-1- PubChem CID
- 648490
- DTXSID
DTXSID701269492- ChEMBL
CHEMBL1418983
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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