Basic information
- CAS
135672-64-9- Standard SMILES
COc1ccc(C(NCCCCCC(=O)O)(c2ccccc2)c2ccccc2)cc1- InChIKey
YYZROKUODOUJKO-UHFFFAOYSA-N- Molecular formula
- C26H29NO3
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.21474379
Names & identifiers
- Preferred name
- 6-(((4-Methoxyphenyl)diphenylmethyl)amino)hexanoic acid
- IUPAC
- 6-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoic acid
Names & synonyms
135672-64-96-(((4-Methoxyphenyl)diphenylmethyl)amino)hexanoic acidHexanoic acid, 6-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-[(4-Methoxyphenyldiphenylmethyl)amino]hexanoic acidSCHEMBL6304679DTXSID60347600YYZROKUODOUJKO-UHFFFAOYSA-NG68038F5557336-{[(4-Methoxyphenyl)di(phenyl)methyl]amino}hexanoic acid6-([(4-Methoxyphenyl)(diphenyl)methyl]amino)hexanoic acid #
Database identifiers
- CAS
135672-64-9- PubChem CID
- 623581
- DTXSID
DTXSID60347600
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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