4-[2-(4-Adamantan-1-yl-phenoxy)acetylamino]-benzoic acid

HCID 3967295
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Basic information

Standard SMILES
O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(C(=O)O)cc1
InChIKey
RGADJDUZNWOKFH-UHFFFAOYSA-N
Molecular formula
C25H27NO4
Average molar mass
405.5 g/mol

Names & identifiers

Preferred name
4-[2-(4-Adamantan-1-yl-phenoxy)acetylamino]-benzoic acid
IUPAC
4-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid

Names & synonyms

Oprea1_149474CHEMBL375173SCHEMBL4293561RGADJDUZNWOKFH-UHFFFAOYSA-N4-[2-(4-Adamantan-1-yl-phenoxy)acetylamino]-benzoic acid

Database identifiers

PubChem CID
3967295
ChEMBL
CHEMBL375173

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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