N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C18H20N2O — CID 65260503

IUPACN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CNCc3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-12-7-8-15(9-13(12)2)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJVNAELPTYMHECB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.13
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260503) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260503
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CNCc3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-12-7-8-15(9-13(12)2)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJVNAELPTYMHECB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
2-(3,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573424
N-(5-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79735984
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584448
5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584358
N-(3-bromo-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625201
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260503) is N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1ccc(NC(=O)C2CNCc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is JVNAELPTYMHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-7-8-15(9-13(12)2)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).