Basic information
- Standard SMILES
Cc1ccc2c(c1OC(C)C)C[C@@H](C1CCNCC1)O[C@H]2CNC=O- InChIKey
OYNWTHUVMYDYGL-OALUTQOASA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- N-((1R,3S)-5-Isopropoxy-6-methyl-3-(4-piperidinyl)-1-isochromanylmethyl)formamide
- IUPAC
- N-[[(1R,3S)-6-methyl-3-piperidin-4-yl-5-propan-2-yloxy-3,4-dihydro-1H-isochromen-1-yl]methyl]formamide
Names & synonyms
SCHEMBL1597644OYNWTHUVMYDYGL-OALUTQOASA-NN-((1R,3S)-5-isopropoxy-6-methyl-3-(4-piperidinyl)-1-isochromanyl-methyl)formamideN-((1R,3S)-5-Isopropoxy-6-methyl-3-(4-piperidinyl)-1-isochromanylmethyl)formamide
Database identifiers
- PubChem CID
- 11638795
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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