2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

C20H20N2O2 — CID 4915923

IUPAC2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-17(10-14)24-13-20(23)21-12-16-11-15(2)22-19-9-4-3-8-18(16)19/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyWHFMDHSDLHACKA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (PubChem CID 4915923) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
PubChem CID4915923
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-17(10-14)24-13-20(23)21-12-16-11-15(2)22-19-9-4-3-8-18(16)19/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyWHFMDHSDLHACKA-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (CID 4915923) is 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is Cc1cccc(OCC(=O)NCc2cc(C)nc3ccccc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The InChIKey is WHFMDHSDLHACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-5-7-17(10-14)24-13-20(23)21-12-16-11-15(2)22-19-9-4-3-8-18(16)19/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 4915923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).