(rac)-N-(4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)isobutyramide

HCID 89846366
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Basic information

Standard SMILES
CC(C)C(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21
InChIKey
MOUHKVCNIZIARN-UHFFFAOYSA-N
Molecular formula
C20H21N3O
Average molar mass
319.4 g/mol
Monoisotopic mass
319.1684623

Names & identifiers

Preferred name
(rac)-N-(4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)isobutyramide
IUPAC
N-[4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]-2-methylpropanamide

Names & synonyms

CHEMBL3623825SCHEMBL15312196MOUHKVCNIZIARN-UHFFFAOYSA-NBDBM191883US9187429, 9(rac)-N-(4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)isobutyramide

Database identifiers

PubChem CID
89846366
ChEMBL
CHEMBL3623825
Nikkaji
J3.476.585E

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
65.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

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