N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

C22H24N2O3 — CID 155924089

IUPACN-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)NCc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-15(2)9-17(8-14)12-23-22(25)13-27-21-10-16(3)24-20-6-5-18(26-4)11-19(20)21/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyAJLWAOKPSWSVHL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.86
Rot. Bonds6

About N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 155924089) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
PubChem CID155924089
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)NCc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-15(2)9-17(8-14)12-23-22(25)13-27-21-10-16(3)24-20-6-5-18(26-4)11-19(20)21/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyAJLWAOKPSWSVHL-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (CID 155924089) is N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is COc1ccc2nc(C)cc(OCC(=O)NCc3cc(C)cc(C)c3)c2c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is AJLWAOKPSWSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-7-15(2)9-17(8-14)12-23-22(25)13-27-21-10-16(3)24-20-6-5-18(26-4)11-19(20)21/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 364.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 155924089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).