Basic information
- CAS
953746-58-2- Standard SMILES
COc1ccc(N)cc1OCC(=O)NC1CC1- InChIKey
GYCSEZDLCKNECW-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
- IUPAC
- 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
- English name
- 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide953746-58-2CHEMBL5497069DNB74658AKOS000141019CS-0247288EN300-36301G27244Z239873254Acetamide, 2-(5-amino-2-methoxyphenoxy)-N-cyclopropyl-
Database identifiers
- CAS
953746-58-2- PubChem CID
- 16785575
- ChEMBL
CHEMBL5497069
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 496.4 · 496.4±35.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.20(Predicted)
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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