Basic information
- CAS
123690-75-5- Standard SMILES
CC(C)CCNc1ccc(CC(N)=O)cc1- InChIKey
MOBSKOKTPUFWPL-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Overview
Benzeneacetamide, 4-((3-methylbutyl)amino)- has been reported in Bongardia chrysogonum with data available.
Names & identifiers
- Preferred name
- Benzeneacetamide, 4-((3-methylbutyl)amino)-
- IUPAC
- 2-[4-(3-methylbutylamino)phenyl]acetamide
Names & synonyms
JordanineBenzeneacetamide, 4-((3-methylbutyl)amino)-123690-75-52-[4-(3-methylbutylamino)phenyl]acetamideDTXSID901540612-(4-(3-methylbutylamino)phenyl)acetamideRefChem:117358DTXCID40765522-{4-[(3-METHYLBUTYL)AMINO]PHENYL}ACETAMIDESCHEMBL27826389
Database identifiers
- CAS
123690-75-5- PubChem CID
- 180201
- DTXSID
DTXSID90154061- Nikkaji
- J2.380.009H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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