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1-Butyrylamino-2-(2-hydroxymethylphenyl)ethane

HCID 20533936
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(=O)NCCc1ccccc1CO
InChIKey
JBTCZVGCDGSHSS-UHFFFAOYSA-N
Molecular formula
C13H19NO2
Average molar mass
221.29 g/mol
Monoisotopic mass
221.14157885

Names & identifiers

Preferred name
1-Butyrylamino-2-(2-hydroxymethylphenyl)ethane
IUPAC
N-[2-[2-(hydroxymethyl)phenyl]ethyl]butanamide

Names & synonyms

SCHEMBL11255122JBTCZVGCDGSHSS-UHFFFAOYSA-N1-butyrylamino-2-(2-hydroxymethylphenyl)ethane

Database identifiers

PubChem CID
20533936

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
206

Related reactions

2 records
New reaction record
HRID 1156929 reaction equation
HRID 1156929As productuspto-grants-1982_06
HRID 2145453 reaction equation
HRID 2145453As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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