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[2-[3-[Di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] acetate (HCID 69226863)|Huagongshe
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Compound
[2-[3-[Di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] acetate
HCID
69226863
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(=O)Oc1ccc(C)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIKey
BCPOJAYIKNGCID-UHFFFAOYSA-N
Molecular formula
C24H33NO2
Average molar mass
367.5 g/mol
Monoisotopic mass
367.2511293
Names & identifiers
Preferred name
[2-[3-[Di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] acetate
IUPAC
[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] acetate
Names & synonyms
SCHEMBL4879639
SCHEMBL7572161
Database identifiers
PubChem CID
69226863
Properties
Computed structural properties
XLogP
5.7
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
27
Formal charge
0
Complexity
434
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
938736
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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