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Basic information
- Standard SMILES
CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2OCCCCC)c1- InChIKey
CGHBEBVBBXZIGH-UHFFFAOYSA-N- Molecular formula
- C27H38N2O4
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 3-[3'-(1-Methyl-3-pentylureido)-2-pentyloxybiphenyl-4-yl]propanoic acid
- IUPAC
- 3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]-3-pentoxyphenyl]propanoic acid
Names & synonyms
SCHEMBL2085374CGHBEBVBBXZIGH-UHFFFAOYSA-N3-[3'-(1-methyl-3-pentylureido)-2-pentyloxybiphenyl-4-yl]propanoic acid
Database identifiers
- PubChem CID
- 11655407
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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