N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide

C21H24N2O3 — CID 2151972

IUPACN-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cc(C)cc(C)c3)cccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-4-23-9-8-17-18(21(23)25)6-5-7-19(17)26-13-20(24)22-16-11-14(2)10-15(3)12-16/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,24)
InChIKeyQWHSNXYTDBQVBW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.34
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide

N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (PubChem CID 2151972) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
PubChem CID2151972
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cc(C)cc(C)c3)cccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-4-23-9-8-17-18(21(23)25)6-5-7-19(17)26-13-20(24)22-16-11-14(2)10-15(3)12-16/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,24)
InChIKeyQWHSNXYTDBQVBW-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151967
2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
CID 2151896
2-[[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
CID 2152117
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 2151971
ethyl 4-[[2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]amino]benzoate
CID 2151936
N-(4-bromophenyl)-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152164
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958
N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402265
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
N-(1,3-benzothiazol-2-yl)-2-[[2-[(2-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 4583159
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
CID 71778155
N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385130

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (CID 2151972) is N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is CCN1CCc2c(OCC(=O)Nc3cc(C)cc(C)c3)cccc2C1=O.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The InChIKey is QWHSNXYTDBQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-23-9-8-17-18(21(23)25)6-5-7-19(17)26-13-20(24)22-16-11-14(2)10-15(3)12-16/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 2151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).