(S)-tert-Butyl 3-(3-formylphenyl)-1-((4-methoxyphenyl)(methyl)amino)-1-oxopropan-2-ylcarbamate
Basic information
- Standard SMILES
COc1ccc(N(C)C(=O)[C@H](Cc2cccc(C=O)c2)NC(=O)OC(C)(C)C)cc1- InChIKey
JZFUVKNVZCHESN-FQEVSTJZSA-N- Molecular formula
- C23H28N2O5
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.199822
Names & identifiers
- Preferred name
- (S)-tert-Butyl 3-(3-formylphenyl)-1-((4-methoxyphenyl)(methyl)amino)-1-oxopropan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-3-(3-formylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL15886517JZFUVKNVZCHESN-FQEVSTJZSA-N(5)-tert-butyl 3-(3-formylphenyl)-1-((4-methoxyphenyl)(methyl)amino)-1-oxopropan-2-ylcarbamate(S)-tert-Butyl 3-(3-formylphenyl)-1-((4-methoxyphenyl) (methyl)amino)-1-oxopropan-2-ylcarbamate(S)-tert-Butyl 3-(3-formylphenyl)-1-((4-methoxyphenyl)(methyl)amino)-1-oxopropan-2-ylcarbamate
Database identifiers
- PubChem CID
- 90289977
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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