Basic information
- CAS
31702-95-1- Standard SMILES
CC(C)CCNC(=O)c1ccccc1- InChIKey
PMBAZUADXYLDHV-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- N-isopentylbenzamide
- IUPAC
- N-(3-methylbutyl)benzamide
Names & synonyms
N-isopentylbenzamideN-(3-methylbutyl)benzamide31702-95-1Benzamide, N-(3-methylbutyl)-SCHEMBL496789Benzamide, N-(3-methylbutyl)N-(3-methyl-butyl)-benzamideSCHEMBL4627908SCHEMBL4741279DTXSID80356693PMBAZUADXYLDHV-UHFFFAOYSA-NAKOS003795147
Show more names
ST51027779AF-399/13082047
Database identifiers
- CAS
31702-95-1- PubChem CID
- 828876
- DTXSID
DTXSID80356693- Nikkaji
- J1.646.974B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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