N-(1-Methylhexyl)benzamide
Basic information
- CAS
103495-30-3- Standard SMILES
CCCCCC(C)NC(=O)c1ccccc1- InChIKey
WRVRHPTWOJUQQH-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- N-(1-Methylhexyl)benzamide
- IUPAC
- N-heptan-2-ylbenzamide
Names & synonyms
N-heptan-2-ylbenzamideBenzamide, N-(1-methylhexyl)-N-(1-Methylhexyl)benzamideN-(1-Methylhexyl)benzamide #SCHEMBL5332053WRVRHPTWOJUQQH-UHFFFAOYSA-NAKOS003850301N-(1-METHYL-HEXYL)-BENZAMIDEST4023575
Database identifiers
- CAS
103495-30-3- PubChem CID
- 517867
- EC Number
- 150-780-2
- Nikkaji
- J1.594.795K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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