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2-benzylamino-N-(1,1-dimethylhexyl)acetamide

HCID 23454154
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC(C)(C)NC(=O)CNCc1ccccc1
InChIKey
XWAROIJJLKQMGK-UHFFFAOYSA-N
Molecular formula
C17H28N2O
Average molar mass
276.4 g/mol

Names & identifiers

Preferred name
2-benzylamino-N-(1,1-dimethylhexyl)acetamide
IUPAC
2-(benzylamino)-N-(2-methylheptan-2-yl)acetamide

Names & synonyms

SCHEMBL11338090XWAROIJJLKQMGK-UHFFFAOYSA-N2-benzylamino-N-(1,1-dimethylhexyl)acetamide

Database identifiers

PubChem CID
23454154

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
270

Related reactions

4 records
New reaction record
HRID 949741 reaction equation
HRID 949741As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1115052 reaction equation
HRID 1115052As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1277489 reaction equation
HRID 1277489As productuspto-grants-1981_07
HRID 1277490 reaction equation
HRID 1277490As reactantuspto-grants-1981_07

Compound notes

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