N-{[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl}-3-nitrobenzamide
Basic information
- CAS
5237-85-4- Standard SMILES
COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC- InChIKey
PHHWLCVYLQJAQA-UHFFFAOYSA-N- Molecular formula
- C22H26N2O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.18417193
Names & identifiers
- Preferred name
- N-{[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl}-3-nitrobenzamide
- IUPAC
- N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitrobenzamide
Names & synonyms
N-{[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl}-3-nitrobenzamideN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-nitrobenzamide5237-85-4MLS000566963N-((1-(3,4-dimethoxyphenyl)cyclohexyl)methyl)-3-nitrobenzamideOprea1_114241Oprea1_363009CHEMBL1523127DTXSID40359963HMS2526M11N-[1-(3,4-Dimethoxy-phenyl)-cyclohexylmethyl]-3-nitro-benzamideSTK831319
Show more names
AKOS000545509SMR000174509ST51196063UNM000000570501AG-690/09301002SR-01000448928SR-01000448928-1
Database identifiers
- CAS
5237-85-4- PubChem CID
- 1048752
- DTXSID
DTXSID40359963- ChEMBL
CHEMBL1523127
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
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Compound notes
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