3-[3'-(1-Methyl-3-pentylureido)biphenyl-4-yl]propanoic acid

HCID 58089082
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Basic information

Standard SMILES
CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2)c1
InChIKey
HRKVBLIIHXFGCZ-UHFFFAOYSA-N
Molecular formula
C22H28N2O3
Average molar mass
368.5 g/mol
Monoisotopic mass
368.20999276

Names & identifiers

Preferred name
3-[3'-(1-Methyl-3-pentylureido)biphenyl-4-yl]propanoic acid
IUPAC
3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid

Names & synonyms

SCHEMBL2083094HRKVBLIIHXFGCZ-UHFFFAOYSA-N3-[3'-(1-methyl-3-pentylureido)biphenyl-4-yl]propanoic acid

Database identifiers

PubChem CID
58089082

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
69.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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