Basic information
- Standard SMILES
COCCCCCC#Cc1ccc(C2CCC(N)(C(=O)OC)C2)cc1- InChIKey
BISWDIAJIMTVSU-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- Methyl 1-amino-3-[4-(7-methoxyhept-1-ynyl)phenyl]cyclopentane-1-carboxylate
- IUPAC
- methyl 1-amino-3-[4-(7-methoxyhept-1-ynyl)phenyl]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL4159215
Database identifiers
- PubChem CID
- 68936342
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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