2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide

C20H20N2O2 — CID 2997255

IUPAC2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-15-8-10-16(11-9-15)24-13-20(23)22-19-6-4-5-18-17(19)12-7-14(2)21-18/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyKOJXBDQQVUIVAQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide

2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide (PubChem CID 2997255) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide
PubChem CID2997255
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-15-8-10-16(11-9-15)24-13-20(23)22-19-6-4-5-18-17(19)12-7-14(2)21-18/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyKOJXBDQQVUIVAQ-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide (CID 2997255) is 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide?
The InChIKey is KOJXBDQQVUIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-15-8-10-16(11-9-15)24-13-20(23)22-19-6-4-5-18-17(19)12-7-14(2)21-18/h4-12H,3,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-methylquinolin-5-yl)acetamide is sourced from PubChem (CID 2997255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).