Basic information
- Standard SMILES
COc1cccc(CC(CCC(=O)OC(C)(C)C)NC(C)=O)c1- InChIKey
KMNBWMWKDUYIPH-UHFFFAOYSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- Tert-butyl 4-acetylamino-5-(3-methoxyphenyl)valerate
- IUPAC
- tert-butyl 4-acetamido-5-(3-methoxyphenyl)pentanoate
Names & synonyms
SCHEMBL8766759KMNBWMWKDUYIPH-UHFFFAOYSA-Ntert-butyl 4-acetylamino-5-(3-methoxyphenyl)valerate
Database identifiers
- PubChem CID
- 20094840
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
4 records
Compound notes
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