Basic information
- Standard SMILES
COc1ccc(OCCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1- InChIKey
HJULRCCOAYBDLO-UHFFFAOYSA-N- Molecular formula
- C25H34N2O4
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- Alpha-isopropyl-alpha-[3-[N-[2-(4-methoxyphenoxy)ethyl]amino]-propyl]-3,4-dimethoxyphenylacetonitrile
- IUPAC
- 2-(3,4-dimethoxyphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]-2-propan-2-ylpentanenitrile
Names & synonyms
SCHEMBL10710774HJULRCCOAYBDLO-UHFFFAOYSA-NAlpha-isopropyl-alpha-[3-[N-[2-(4-methoxyphenoxy)ethyl]amino]-propyl]-3,4-dimethoxyphenylacetonitrile
Database identifiers
- PubChem CID
- 13714713
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 541
Related reactions
2 records
Compound notes
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