Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C=C(C)c1ccc(CCC(C)(C)NCC(O)c2ccccc2)cc1- InChIKey
FOBHTMDNPAEKHH-UHFFFAOYSA-N- Molecular formula
- C24H31NO3
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.23039385
Names & identifiers
- Preferred name
- N-{3-(4-{2-Carbomethoxy-1-methylethenyl}phenyl)-1, 1-dimethylpropyl}-2-hydroxy-2-phenylethanamine
- IUPAC
- methyl 3-[4-[3-[(2-hydroxy-2-phenylethyl)amino]-3-methylbutyl]phenyl]but-2-enoate
Names & synonyms
SCHEMBL11170207FOBHTMDNPAEKHH-UHFFFAOYSA-NN-{3-(4-{2-Carbomethoxy-1-methylethenyl}phenyl)-1, 1-dimethylpropyl}-2-hydroxy-2-phenylethanamine
Database identifiers
- PubChem CID
- 53809482
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
Loading…