n-[3-(4-Tert-butylcyclohexan-1-yl)phenyl]-4-carboxy-methyloxy-3-methoxyphenylacetamide

HCID 22019614
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Basic information

Standard SMILES
COc1cc(C(OC)C(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1C(=O)O
InChIKey
IRDDGQNQUNEYBW-UHFFFAOYSA-N
Molecular formula
C27H35NO5
Average molar mass
453.6 g/mol

Names & identifiers

Preferred name
n-[3-(4-Tert-butylcyclohexan-1-yl)phenyl]-4-carboxy-methyloxy-3-methoxyphenylacetamide
IUPAC
4-[2-[3-(4-tert-butylcyclohexyl)anilino]-1-methoxy-2-oxoethyl]-2-methoxybenzoic acid

Names & synonyms

SCHEMBL6100276IRDDGQNQUNEYBW-UHFFFAOYSA-Nn-[3-(4-tert-butylcyclohexan-1-yl)phenyl]-4-carboxy-methyloxy-3-methoxyphenylacetamide

Database identifiers

PubChem CID
22019614

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
33

Related reactions

1 records
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Compound notes

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