N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide

C25H28N2O5 — CID 84572032

IUPACN-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3c(C)cccc3C)c2C)cc1
InChIInChI=1S/C25H28N2O5/c1-17-6-5-7-18(2)24(17)26-23(29)16-32-25-19(3)27(13-12-22(25)28)14-15-31-21-10-8-20(30-4)9-11-21/h5-13H,14-16H2,1-4H3,(H,26,29)
InChIKeyMVTSBMQYEYIQKE-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.88
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide

N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 84572032) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
PubChem CID84572032
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3c(C)cccc3C)c2C)cc1
InChIInChI=1S/C25H28N2O5/c1-17-6-5-7-18(2)24(17)26-23(29)16-32-25-19(3)27(13-12-22(25)28)14-15-31-21-10-8-20(30-4)9-11-21/h5-13H,14-16H2,1-4H3,(H,26,29)
InChIKeyMVTSBMQYEYIQKE-UHFFFAOYSA-N
XLogP3.88
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide (CID 84572032) is N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide is COc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3c(C)cccc3C)c2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is MVTSBMQYEYIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17-6-5-7-18(2)24(17)26-23(29)16-32-25-19(3)27(13-12-22(25)28)14-15-31-21-10-8-20(30-4)9-11-21/h5-13H,14-16H2,1-4H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 84572032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).