Basic information
- Standard SMILES
COc1cc(CC(=O)N2CCCC2CO)ccc1NC(=O)Nc1ccccc1C- InChIKey
OYLLHLOSAUDZNJ-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- 1-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinemethanol
- IUPAC
- 1-[4-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methoxyphenyl]-3-(2-methylphenyl)urea
Names & synonyms
SCHEMBL5153587OYLLHLOSAUDZNJ-UHFFFAOYSA-N1-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinemethanol
Database identifiers
- PubChem CID
- 69333531
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
2 records
Compound notes
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