2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

C21H28N2O2 — CID 51238522

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C21H28N2O2/c1-14-7-6-10-19(15(14)2)22-21(25)13-20-18-9-5-4-8-17(18)11-12-23(20)16(3)24/h4-5,8-9,11-12,14-15,19-20H,6-7,10,13H2,1-3H3,(H,22,25)
InChIKeyYHFLPZBBZDRXEC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 51238522) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID51238522
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C21H28N2O2/c1-14-7-6-10-19(15(14)2)22-21(25)13-20-18-9-5-4-8-17(18)11-12-23(20)16(3)24/h4-5,8-9,11-12,14-15,19-20H,6-7,10,13H2,1-3H3,(H,22,25)
InChIKeyYHFLPZBBZDRXEC-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9081455
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(3S)-oxan-3-yl]methyl]acetamide
CID 94632794
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51707772
2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide
CID 51229164
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94480388
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 18149429
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 51238522) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCCC(C)C1C.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is YHFLPZBBZDRXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-7-6-10-19(15(14)2)22-21(25)13-20-18-9-5-4-8-17(18)11-12-23(20)16(3)24/h4-5,8-9,11-12,14-15,19-20H,6-7,10,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 51238522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).