N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(3-methoxyphenyl)-N-[(4-pentylphenyl)methyl]prop-2-enamide

HCID 91058742
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Basic information

Standard SMILES
CCCCCc1ccc(CN(C(=O)C=Cc2cccc(OC)c2)C(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIKey
CDQUPVBHBLFCKQ-UHFFFAOYSA-N
Molecular formula
C42H49N3O3
Average molar mass
643.9 g/mol
Monoisotopic mass
643.37739243

Names & identifiers

Preferred name
N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(3-methoxyphenyl)-N-[(4-pentylphenyl)methyl]prop-2-enamide
IUPAC
N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(3-methoxyphenyl)-N-[(4-pentylphenyl)methyl]prop-2-enamide

Database identifiers

PubChem CID
91058742

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
New reaction record

Compound notes

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