2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
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Basic information
- CAS
6641-86-7- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCSc1ccccc1- InChIKey
PVVYCHZEUSXOKM-UHFFFAOYSA-N- Molecular formula
- C14H21NO3S
- Average molar mass
- 283.39 g/mol
- Monoisotopic mass
- 283.12421471
Names & identifiers
- Preferred name
- 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
- IUPAC
- 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
- English name
- 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
- Molecular formula
- C14H21NO3S
- Molecular weight
- 283.39
Names & synonyms
6641-86-7NSC159872,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide2,4-dihydroxy-3,3-dimethyl-n-[2-(phenylsulfanyl)ethyl]butanamideDTXSID80280222NSC-15987Butyramide, 2,4-dihydroxy-3,3-dimethyl-N-[2-(phenylthio)ethyl]-, (+)- (8CI)
Database identifiers
- CAS
6641-86-7- PubChem CID
- 226007
- DTXSID
DTXSID80280222
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
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Compound notes
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