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N-acetyl-N-(2-isopropoxybenzyl)-2-phenoxyaniline

HCID 13005995
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)N(Cc1ccccc1OC(C)C)c1ccccc1Oc1ccccc1
InChIKey
HRXWNFBNGKXPBE-UHFFFAOYSA-N
Molecular formula
C24H25NO3
Average molar mass
375.5 g/mol

Names & identifiers

Preferred name
N-acetyl-N-(2-isopropoxybenzyl)-2-phenoxyaniline
IUPAC
N-(2-phenoxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide

Names & synonyms

SCHEMBL7567968HRXWNFBNGKXPBE-UHFFFAOYSA-NN-acetyl-N-(2-isopropoxybenzyl)-2-phenoxyaniline

Database identifiers

PubChem CID
13005995

Properties

Computed structural propertiesFilling in

XLogP
5.1
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
474

Related reactions

3 records
New reaction record
HRID 1016565 reaction equation
HRID 1016565As productuspto-grants-2002_11
HRID 1554552 reaction equation
HRID 1554552As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2271191 reaction equation
HRID 2271191As productuspto-grants-2001_12

Compound notes

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