N-(1,1-Dimethyl-2-propynyl)-4-methoxybenzamide
Basic information
- CAS
39108-81-1- Standard SMILES
C#CC(C)(C)NC(=O)c1ccc(OC)cc1- InChIKey
AMEGQBUWQVQJSA-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- N-(1,1-Dimethyl-2-propynyl)-4-methoxybenzamide
- IUPAC
- 4-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide
Names & synonyms
N-(1,1-DIMETHYL-2-PROPYNYL)-4-METHOXYBENZAMIDECHEMBL379722239108-81-14-methoxy-N-(2-methylbut-3-yn-2-yl)benzamideDTXSID60192354BDBM50163742AKOS013316020
Database identifiers
- CAS
39108-81-1- PubChem CID
- 38217
- DTXSID
DTXSID60192354- ChEMBL
CHEMBL3797222- Nikkaji
- J1.619.409C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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