Basic information
- CAS
42600-75-9- Standard SMILES
COc1ccc(CCNC(=O)C(C)(C)C)cc1OC- InChIKey
VIFJQAYJHWCHNX-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Names & identifiers
- Preferred name
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
- English name
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
- Molecular formula
- C15H23NO3
- Molecular weight
- 265.35
Names & synonyms
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide42600-75-9Propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-TimTec1_006796Oprea1_838242Oprea1_845646CHEMBL4217249SCHEMBL10223234DTXSID70355276HMS1553E20STK121491AKOS000640609
Show more names
Pivalamide, N-(3,4-dimethoxyphenethyl)-ST50016236N-[beta-(3,4-dimethoxyphenyl)-ethyl]-2,2-dimethylpropionamideN-[beta-(3,4-dimethoxyphenyl)-ethyl]2,2-dimethylpropionamide
Database identifiers
- CAS
42600-75-9- PubChem CID
- 795486
- DTXSID
DTXSID70355276- ChEMBL
CHEMBL4217249
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 168 · 168-178 °C(Press: 0.6 Torr)
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- 16.17 · 16.17±0.46(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
6 records
Compound notes
Loading…