2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C18H20N2O — CID 63901319

IUPAC2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C18H20N2O/c1-12-3-4-13(2)17(9-12)18(21)20-16-6-5-14-7-8-19-11-15(14)10-16/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)
InChIKeyWIZKJPHBWHPZPR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.20
Rot. Bonds2

About 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 63901319) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID63901319
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C18H20N2O/c1-12-3-4-13(2)17(9-12)18(21)20-16-6-5-14-7-8-19-11-15(14)10-16/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)
InChIKeyWIZKJPHBWHPZPR-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 63901319) is 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CNCC3)c1.
What is the InChIKey of 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is WIZKJPHBWHPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-3-4-13(2)17(9-12)18(21)20-16-6-5-14-7-8-19-11-15(14)10-16/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 63901319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).