2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

C21H22N2O2 — CID 4915926

IUPAC2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C21H22N2O2/c1-14-8-15(2)10-18(9-14)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVYULQKAJYXBVTG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.86
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (PubChem CID 4915926) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
PubChem CID4915926
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C21H22N2O2/c1-14-8-15(2)10-18(9-14)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVYULQKAJYXBVTG-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 30349918
2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8545051

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (CID 4915926) is 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is Cc1cc(C)cc(OCC(=O)NCc2cc(C)nc3ccccc23)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The InChIKey is VYULQKAJYXBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-8-15(2)10-18(9-14)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 4915926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).