2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide

C23H28N2O2 — CID 134054293

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O2/c1-16-9-11-19(12-10-16)17(2)24(4)23(27)15-22-21-8-6-5-7-20(21)13-14-25(22)18(3)26/h5-12,17,22H,13-15H2,1-4H3
InChIKeyFJMURDHHTIMNDU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 134054293) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID134054293
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O2/c1-16-9-11-19(12-10-16)17(2)24(4)23(27)15-22-21-8-6-5-7-20(21)13-14-25(22)18(3)26/h5-12,17,22H,13-15H2,1-4H3
InChIKeyFJMURDHHTIMNDU-UHFFFAOYSA-N
XLogP4.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 97313173
5-[[[2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125151359
5-[[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222624
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55450880
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120832144
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 134049097
2-[[1-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 75386848
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 134044511
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
CID 134044590
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 55451019
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 55580201

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide (CID 134054293) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide is CC(=O)N1CCc2ccccc2C1CC(=O)N(C)C(C)c1ccc(C)cc1.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is FJMURDHHTIMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-9-11-19(12-10-16)17(2)24(4)23(27)15-22-21-8-6-5-7-20(21)13-14-25(22)18(3)26/h5-12,17,22H,13-15H2,1-4H3.
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 134054293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).