2-(4-{3-[1-(3,4-Dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl}-phenoxy)-2-methyl-propionic acid tert-butyl ester

HCID 57718897

Basic information

Standard SMILES
Cc1ccc(CN2CC(CCCc3ccc(OC(C)(C)C(=O)OC(C)(C)C)cc3)NC2=O)cc1C
InChIKey
KSWBXAYJNBAUPC-UHFFFAOYSA-N
Molecular formula
C29H40N2O4
Average molar mass
480.6 g/mol
Monoisotopic mass
480.29880776

Names & identifiers

Preferred name
2-(4-{3-[1-(3,4-Dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl}-phenoxy)-2-methyl-propionic acid tert-butyl ester
IUPAC
tert-butyl 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoate

Names & synonyms

SCHEMBL3990488KSWBXAYJNBAUPC-UHFFFAOYSA-N2-(4-{3-[1-(3,4-dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl}-phenoxy)-2-methyl-propionic acid tert-butyl ester

Database identifiers

PubChem CID
57718897

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
35

Related reactions

4 records

Compound notes

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