N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxy-phenyl)-N-(4-pentyl-benzyl)-acrylamide

HCID 67005100
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Basic information

Standard SMILES
CCCCCc1ccc(CN(C(=O)C=Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIKey
PMQPIKUYBIOEON-FAIXQHPJSA-N
Molecular formula
C42H49N3O3
Average molar mass
643.9 g/mol
Monoisotopic mass
643.37739243

Names & identifiers

Preferred name
N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxy-phenyl)-N-(4-pentyl-benzyl)-acrylamide
IUPAC
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)-N-[(4-pentylphenyl)methyl]prop-2-enamide

Names & synonyms

SCHEMBL1360699PMQPIKUYBIOEON-FAIXQHPJSA-NN-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxy-phenyl)-N-(4-pentyl-benzyl)-acrylamide

Database identifiers

PubChem CID
67005100

Properties

Computed structural properties

XLogP
8.5
Topological polar surface area
53.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
15
Heavy atoms
48

Related reactions

1 records
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Compound notes

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