2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C22H26N2O — CID 6937620

IUPAC2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2=NC(C)(C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C22H26N2O/c1-14-10-15(2)21(16(3)11-14)23-20(25)12-19-18-9-7-6-8-17(18)13-22(4,5)24-19/h6-11H,12-13H2,1-5H3,(H,23,25)
InChIKeyWIZASXKLTKSYES-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.76
Rot. Bonds3

About 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 6937620) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID6937620
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2=NC(C)(C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C22H26N2O/c1-14-10-15(2)21(16(3)11-14)23-20(25)12-19-18-9-7-6-8-17(18)13-22(4,5)24-19/h6-11H,12-13H2,1-5H3,(H,23,25)
InChIKeyWIZASXKLTKSYES-UHFFFAOYSA-N
XLogP4.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
CID 43024604
N-[1-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-2-ylidene]hydroxylamine
CID 1238937
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 835158
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 90736376
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-quinolin-4-ylethanone
CID 91599360
3,3-dimethyl-1-(nitromethyl)-4H-isoquinoline
CID 711936
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341
2-(7-amino-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylethanone
CID 90931278

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 6937620) is 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CC2=NC(C)(C)Cc3ccccc32)c(C)c1.
What is the InChIKey of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is WIZASXKLTKSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-14-10-15(2)21(16(3)11-14)23-20(25)12-19-18-9-7-6-8-17(18)13-22(4,5)24-19/h6-11H,12-13H2,1-5H3,(H,23,25).
What are the key properties of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 6937620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).