Basic information
- Standard SMILES
Cc1c(C(=O)NC(C)c2cccc3ccccc23)ccc2c1OC(CO)CO2- InChIKey
DRTKETRVAVRKCO-UHFFFAOYSA-N- Molecular formula
- C23H23NO4
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16270821
Names & identifiers
- Preferred name
- 3-Hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-naphthalen-1-yl-ethyl)-amide
- IUPAC
- 3-(hydroxymethyl)-5-methyl-N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Names & synonyms
DRTKETRVAVRKCO-UHFFFAOYSA-N3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-naphthalen-1-yl-ethyl)-amide
Database identifiers
- PubChem CID
- 72490852
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Related reactions
4 records
Compound notes
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