Basic information
- Standard SMILES
CN(CCc1ccc2c(c1)CCO2)CCC(C(N)=O)(c1ccccc1)c1ccccc1- InChIKey
ZYKWXHKIYLJLAJ-UHFFFAOYSA-N- Molecular formula
- C27H30N2O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.2307282
Names & identifiers
- Preferred name
- 4-[N-(2-{2,3-dihydrobenzofur-5-yl}ethyl)-N-methylamino]-2,2-diphenylbutanamide
- IUPAC
- 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2,2-diphenylbutanamide
Names & synonyms
SCHEMBL9426690ZYKWXHKIYLJLAJ-UHFFFAOYSA-N4-[N-(2-{2,3-dihydrobenzofur-5-yl}ethyl)-N-methylamino]-2,2-diphenylbutanamide4-[N-(2-{2,3-dihydrobenzofur-5yl}ethyl)-N-methylamino]-2,2-diphenylbutanamide
Database identifiers
- PubChem CID
- 19088510
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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