Basic information
- Standard SMILES
COC(=O)COc1ccc(CCCCNC(=O)OC(C)(C)C)cc1- InChIKey
BTXINXJJZKVSFH-UHFFFAOYSA-N- Molecular formula
- C18H27NO5
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.18892296
Names & identifiers
- Preferred name
- [4-(4-tert-Butoxycarbonylaminobutyl)phenoxy]acetic acid methyl ester
- IUPAC
- methyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetate
Names & synonyms
SCHEMBL916429BTXINXJJZKVSFH-UHFFFAOYSA-NDB-171769[4-(4-tert-Butoxycarbonylaminobutyl)phenoxy]acetic acid methyl esterMethyl 2-(4-(4-((tert-butoxycarbonyl)amino)butyl)phenoxy)acetate847201-12-1
Database identifiers
- PubChem CID
- 21031129
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Related reactions
18 records
Compound notes
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