2-acetylamino-N-[2-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide

HCID 22015687

Basic information

Standard SMILES
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)N1CC(=O)N(CCc2ccc3ccccc3c2)CC1CCC#N
InChIKey
JCNSEUZUBDINHD-UHFFFAOYSA-N
Molecular formula
C39H40FN5O5
Average molar mass
677.8 g/mol

Names & identifiers

Preferred name
2-acetylamino-N-[2-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide
IUPAC
2-acetamido-N-[1-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxopiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Names & synonyms

SCHEMBL5994965JCNSEUZUBDINHD-UHFFFAOYSA-N2-acetylamino-N-[2-[2-(2-cyanoethyl)-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide

Database identifiers

PubChem CID
22015687

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
50

Related reactions

3 records

Linked notes

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