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N-[1-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]cyclopropyl]-N-methylacetamide

HCID 178488954
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C2(N(C)C(C)=O)CC2)cc1CNC1CCCNC1c1ccccc1
InChIKey
UBTMBCQWHTVTMV-UHFFFAOYSA-N
Molecular formula
C25H33N3O2
Average molar mass
407.5 g/mol
Monoisotopic mass
407.2572773

Names & identifiers

IUPAC
N-[1-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]cyclopropyl]-N-methylacetamide

Database identifiers

PubChem CID
19066430

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
53.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
573

Related reactions

1 records
New reaction record
HRID 143909 reaction equation
HRID 143909As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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