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

C20H22N2O3 — CID 4572321

IUPAC2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cccc(C)c3)cccc2C1=O
InChIInChI=1S/C20H22N2O3/c1-3-22-11-10-16-17(20(22)24)8-5-9-18(16)25-13-19(23)21-15-7-4-6-14(2)12-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyMSCUPJOHMFEKIP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds5

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

2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide (PubChem CID 4572321) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
PubChem CID4572321
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
SMILESCCN1CCc2c(OCC(=O)Nc3cccc(C)c3)cccc2C1=O
InChIInChI=1S/C20H22N2O3/c1-3-22-11-10-16-17(20(22)24)8-5-9-18(16)25-13-19(23)21-15-7-4-6-14(2)12-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyMSCUPJOHMFEKIP-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide (CID 4572321) is 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide is CCN1CCc2c(OCC(=O)Nc3cccc(C)c3)cccc2C1=O.
What is the InChIKey of 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The InChIKey is MSCUPJOHMFEKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-22-11-10-16-17(20(22)24)8-5-9-18(16)25-13-19(23)21-15-7-4-6-14(2)12-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 4572321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).