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

C21H24N2O3 — CID 2151967

IUPACN-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cc(C)ccc3C)cccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-4-23-11-10-16-17(21(23)25)6-5-7-19(16)26-13-20(24)22-18-12-14(2)8-9-15(18)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,24)
InChIKeyBJQZIYGHQNCSSW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.34
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (PubChem CID 2151967) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
PubChem CID2151967
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cc(C)ccc3C)cccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-4-23-11-10-16-17(21(23)25)6-5-7-19(16)26-13-20(24)22-18-12-14(2)8-9-15(18)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,24)
InChIKeyBJQZIYGHQNCSSW-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-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151972
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
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100765455
N-(2-fluoro-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 24578842
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958
N-(1,3-benzothiazol-2-yl)-2-[[2-[(2-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 4583159
ethyl 4-[[2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]amino]benzoate
CID 2151936
N-(2,5-dimethylphenyl)-2-[(2-oxo-1H-quinolin-8-yl)oxy]acetamide
CID 82108235
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (CID 2151967) is N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is CCN1CCc2c(OCC(=O)Nc3cc(C)ccc3C)cccc2C1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The InChIKey is BJQZIYGHQNCSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-23-11-10-16-17(21(23)25)6-5-7-19(16)26-13-20(24)22-18-12-14(2)8-9-15(18)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
N-(2,5-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-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 2151967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).