Basic information
- Standard SMILES
COc1cc(CCNC(=O)C(=CO)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1- InChIKey
ZNCYRCWFZDTPLU-UHFFFAOYSA-N- Molecular formula
- C29H31NO4
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.22530847
Names & identifiers
- Preferred name
- N-[2-(4-benzyloxy-3-methoxyphenyl)ethyl]-3-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acrylamide
- IUPAC
- 3-hydroxy-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enamide
Names & synonyms
SCHEMBL6803938ZNCYRCWFZDTPLU-UHFFFAOYSA-NN-[2-(4-benzyloxy-3-methoxyphenyl)ethyl]-3-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acrylamide
Database identifiers
- PubChem CID
- 69901147
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Compound notes
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