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1-(4-Diethylcarbamoylphenyl)-1-(2-methoxyphenyl)methyl acetate

HCID 69718877
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)C(=O)c1ccc(C(OC(C)=O)c2ccccc2OC)cc1
InChIKey
OWKJEYMNQVKTTC-UHFFFAOYSA-N
Molecular formula
C21H25NO4
Average molar mass
355.4 g/mol

Names & identifiers

Preferred name
1-(4-Diethylcarbamoylphenyl)-1-(2-methoxyphenyl)methyl acetate
IUPAC
[[4-(diethylcarbamoyl)phenyl]-(2-methoxyphenyl)methyl] acetate

Names & synonyms

SCHEMBL6245286OWKJEYMNQVKTTC-UHFFFAOYSA-N1-(4-diethylcarbamoylphenyl)-1-(2-methoxyphenyl)methyl acetate

Database identifiers

PubChem CID
69718877

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
455

Related reactions

4 records
New reaction record
HRID 101037 reaction equation
HRID 101037As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 895609 reaction equation
HRID 895609As productuspto-grants-2005_07
HRID 895610 reaction equation
HRID 895610As reactantuspto-grants-2005_07
HRID 1538365 reaction equation
HRID 1538365As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes