Benzamide, N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-2,4,5-trimethoxy-

HCID 216596CAS 37481-40-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1OC
InChIKey
PLZYEUWLUGOFIW-UHFFFAOYSA-N
Molecular formula
C20H24N2O4
Average molar mass
356.4 g/mol
Monoisotopic mass
356.17360725

Names & identifiers

Preferred name
Benzamide, N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-2,4,5-trimethoxy-
IUPAC
2,4,5-trimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
English name
2,4,5-Trimethoxy-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)benzamide
Molecular formula
C20H24N2O4
Molecular weight
356.42

Names & synonyms

37481-40-6BRN 0499534Benzamide, N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-2,4,5-trimethoxy-DTXSID10190926Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-(2,4,5-trimethoxybenzamido)-RefChem:322078DTXCID501134172,4,5-trimethoxy-n-(2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide1,2,3,4-TETRAHYDRO-2-METHYL-5-(2,4,5-TRIMETHOXYBENZAMIDO)ISOQUINOLINESCHEMBL7109075PLZYEUWLUGOFIW-UHFFFAOYSA-N5-(2,4,5-trimethoxybenzamido)-2-methyl-1,2,3,4-tetrahydroisoquinoline
Show more names
2,4,5-Trimethoxy-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)benzamideBenzamide, 2,4,5-trimethoxy-N-(1,2,3,4-tetrahydro-2-methyl-5-isoquinolinyl)-

Database identifiers

CAS
37481-40-6
PubChem CID
216596
DTXSID
DTXSID10190926
Nikkaji
J54.841C

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
60 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Physicochemical properties

Boiling point
467.1 · 467.1±45.0 °C(Predicted)
Density
1.195 · 1.195±0.06 g/cm3(Predicted)
pka
12.6 · 12.60±0.20(Predicted)

Related reactions

2 records
New reaction record

Linked notes

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