[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
Basic information
- CAS
733025-73-5- Standard SMILES
CCCCOc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1- InChIKey
VHOQPRKYKGCREX-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- [2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
- IUPAC
- [2-(cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
Names & synonyms
[2-(cyclopentylamino)-2-oxoethyl] 4-butoxybenzoateMLS001174159CHEMBL1393079DTXSID701328937HMS2857F05AKOS033655583733025-73-5SMR000589362AB00718051-012-(Cyclopentylamino)-2-oxoethyl 4-butoxybenzoateZ19026875
Database identifiers
- CAS
733025-73-5- PubChem CID
- 2434464
- DTXSID
DTXSID701328937- ChEMBL
CHEMBL1393079
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 371
Experimental & physicochemical properties
Solubility5.5 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…