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N-[6-[4-hydroxy-2-[(4-methoxyphenyl)-[(4-methoxyphenyl)methoxy]-phenylmethyl]pyrrolidin-1-yl]-6-oxohexyl]hexadecanamide

HCID 178443075
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(O)CC1C(OCc1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1
InChIKey
QXMZRQXQFYYVCE-UHFFFAOYSA-N
Molecular formula
C48H70N2O6
Average molar mass
771.1 g/mol
Monoisotopic mass
770.52338796

Names & identifiers

IUPAC
N-[6-[4-hydroxy-2-[(4-methoxyphenyl)-[(4-methoxyphenyl)methoxy]-phenylmethyl]pyrrolidin-1-yl]-6-oxohexyl]hexadecanamide

Database identifiers

PubChem CID
86620060

Properties

Computed structural properties

XLogP
11.3
Topological polar surface area
97.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
28
Heavy atoms
56
Formal charge
0
Complexity
1,040

Related reactions

1 records
New reaction record
HRID 697621 reaction equation
HRID 697621As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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