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N-(2-methylphenyl)-4-methylvaleramide

HCID 22708317
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1NC(=O)CCC(C)C
InChIKey
NCQMLFNIKCDZJH-UHFFFAOYSA-N
Molecular formula
C13H19NO
Average molar mass
205.3 g/mol

Names & identifiers

Preferred name
N-(2-methylphenyl)-4-methylvaleramide
IUPAC
4-methyl-N-(2-methylphenyl)pentanamide

Names & synonyms

SCHEMBL6255583NCQMLFNIKCDZJH-UHFFFAOYSA-NAKOS017053369N-(2-methylphenyl)-4-methylvaleramideZ27792654

Database identifiers

PubChem CID
22708317

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
201

Related reactions

10 records
New reaction record
HRID 353236 reaction equation
HRID 353236As productuspto-grants-2004_06
HRID 353237 reaction equation
HRID 353237As reactantuspto-grants-2004_06
HRID 431799 reaction equation
HRID 431799As productuspto-grants-2003_12
HRID 431800 reaction equation
HRID 431800As reactantuspto-grants-2003_12
HRID 803613 reaction equation
HRID 803613As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 842940 reaction equation
HRID 842940As productuspto-grants-2002_04
HRID 842941 reaction equation
HRID 842941As reactantuspto-grants-2002_04
HRID 1872825 reaction equation
HRID 1872825As productuspto-grants-2000_08
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Compound notes

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