3-(diethylamino)-N-(2,6-dimethylphenyl)butanamide
Basic information
- CAS
77471-00-2- Standard SMILES
CCN(CC)C(C)CC(=O)Nc1c(C)cccc1C- InChIKey
NBDUXDIBNNNPKZ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O
- Average molar mass
- 262.39 g/mol
- Monoisotopic mass
- 262.20451346
Names & identifiers
- Preferred name
- 3-(diethylamino)-N-(2,6-dimethylphenyl)butanamide
- IUPAC
- 3-(diethylamino)-N-(2,6-dimethylphenyl)butanamide
Names & synonyms
3-(diethylamino)-N-(2,6-dimethylphenyl)butanamideCHEMBL167639DTXSID5087487477471-00-2
Database identifiers
- CAS
77471-00-2- PubChem CID
- 54024
- DTXSID
DTXSID50874874- ChEMBL
CHEMBL167639- Nikkaji
- J1.587.526G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
LogP2.63
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Compound notes
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