Basic information
- CAS
5857-40-9- Standard SMILES
COc1ccc(CNC2=CC(=O)OC23CCCCC3)cc1- InChIKey
YSMBYYTVQXQODQ-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- Bas 02988700
- IUPAC
- 4-[(4-methoxyphenyl)methylamino]-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
5857-40-9BAS 02988700DTXSID80350651RefChem:320939DTXCID703017184-[(4-methoxybenzyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one4-[(4-methoxyphenyl)methylamino]-1-oxaspiro[4.5]dec-3-en-2-one4-{[(4-METHOXYPHENYL)METHYL]AMINO}-1-OXASPIRO[4.5]DEC-3-EN-2-ONE4-((4-methoxybenzyl)amino)-1-oxaspiro[4.5]dec-3-en-2-oneCBMicro_019495Oprea1_509115Oprea1_546734
Show more names
CCG-13278STK758437AKOS000670506BIM-0019227.P001EU-0037174ST51013661SR-01000520647SR-01000520647-1
Database identifiers
- CAS
5857-40-9- PubChem CID
- 685181
- DTXSID
DTXSID80350651
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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