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Basic information
- Standard SMILES
Cc1c(CCC(=O)OC(C)(C)C)cccc1NC(=O)C(c1ccc(CBr)cc1)C1CCCC1- InChIKey
GZBRRGMHDUAOSX-UHFFFAOYSA-N- Molecular formula
- C28H36BrNO3
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-[3-({[4-(bromomethyl)phenyl](cyclopentyl)acetyl}amino)-2-methylphenyl]propanoate
- IUPAC
- tert-butyl 3-[3-[[2-[4-(bromomethyl)phenyl]-2-cyclopentylacetyl]amino]-2-methylphenyl]propanoate
Names & synonyms
SCHEMBL1069864GZBRRGMHDUAOSX-UHFFFAOYSA-Ntert-butyl 3-[3-({[4-(bromomethyl)phenyl](cyclopentyl)acetyl}amino)-2-methylphenyl]propanoatetert-butyl(+/-)-3-[3-({[4-(bromomethyl)phenyl] (cyclopentyl)acetyl}amino)-2-methylphenyl]propanoatetert-butyl(+/-)-3-[3-({[4-(bromomethyl)phenyl](cyclopentyl)acetyl}amino)-2-methylphenyl]propanoate
Database identifiers
- PubChem CID
- 58136306
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 632
Related reactions
3 records
Compound notes
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