Basic information
- Standard SMILES
CCCCC1(CCCC)NC(=O)c2ccccc2O1- InChIKey
ZTLSJBOSYMKOFH-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 2,2-dibutyl-4-oxo-2,3-dihydro-4H-1,3-benzoxazine
- IUPAC
- 2,2-dibutyl-3H-1,3-benzoxazin-4-one
Names & synonyms
SCHEMBL7512827SCHEMBL7783218ZTLSJBOSYMKOFH-UHFFFAOYSA-N2,2-dibutyl-4-oxo-2,3-dihydro-4H-1,3-benzoxazine
Database identifiers
- PubChem CID
- 10084017
- Nikkaji
- J854.561H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
4 records
Compound notes
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