Basic information
- Standard SMILES
COc1cc(CC(=O)Nc2cccc(/C=C/c3cccc(C)c3)c2)ccc1OCCNC(=O)OC(C)(C)C- InChIKey
XBGWBMGIHMIFQQ-OUKQBFOZSA-N- Molecular formula
- C31H36N2O5
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.26242225
Names & identifiers
- Preferred name
- 4-[2-(tert-Butoxycarbonylamino)ethoxy]-3-methoxy-N-[3-[(E)-2-(3-methylphenyl)vinyl]phenyl]phenylacetamide
- IUPAC
- tert-butyl N-[2-[2-methoxy-4-[2-[3-[(E)-2-(3-methylphenyl)ethenyl]anilino]-2-oxoethyl]phenoxy]ethyl]carbamate
Names & synonyms
SCHEMBL6099785XBGWBMGIHMIFQQ-OUKQBFOZSA-N4-[2-(tert-butoxycarbonylamino)-ethoxy]-3-methoxy-N-[3-[(E)-2-(3-methylphenyl)vinyl]phenyl]phenylacetamide4-[2-(tert-Butoxycarbonylamino)ethoxy]-3-methoxy-N-[3-[(E)-2-(3-methylphenyl)vinyl]phenyl]phenylacetamide
Database identifiers
- PubChem CID
- 22019583
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 764
Related reactions
2 records
Linked notes
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