Basic information
- Standard SMILES
Cc1ccc(C(CC(=O)OC(C)(C)C)N(Cc2ccccc2)C(C)c2ccccc2)cn1- InChIKey
KRAVWZROJRFPFC-UHFFFAOYSA-N- Molecular formula
- C28H34N2O2
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.26202833
Names & identifiers
- Preferred name
- Tert-butyl 3-[benzyl(1-phenylethyl)amino]-3-(6-methyl-3-pyridinyl)propanoate
- IUPAC
- tert-butyl 3-[benzyl(1-phenylethyl)amino]-3-(6-methyl-3-pyridinyl)propanoate
Database identifiers
- PubChem CID
- 77199641
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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