N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide

C25H26N2O6 — CID 84572452

IUPACN-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)c3ccc(NC(C)=O)cc3)c2C)cc1
InChIInChI=1S/C25H26N2O6/c1-17-25(33-16-24(30)19-4-6-20(7-5-19)26-18(2)28)23(29)12-13-27(17)14-15-32-22-10-8-21(31-3)9-11-22/h4-13H,14-16H2,1-3H3,(H,26,28)
InChIKeyAPTHIUNWOIEPBD-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.46
Rot. Bonds10

About N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide

N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide (PubChem CID 84572452) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
PubChem CID84572452
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC NameN-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)c3ccc(NC(C)=O)cc3)c2C)cc1
InChIInChI=1S/C25H26N2O6/c1-17-25(33-16-24(30)19-4-6-20(7-5-19)26-18(2)28)23(29)12-13-27(17)14-15-32-22-10-8-21(31-3)9-11-22/h4-13H,14-16H2,1-3H3,(H,26,28)
InChIKeyAPTHIUNWOIEPBD-UHFFFAOYSA-N
XLogP3.46
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
CID 84572401
butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
CID 84572238
ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
CID 84572358
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
CID 84572393
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-prop-2-ynoxypyridin-4-one
CID 84572566
N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 84572212
N-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
CID 121238918
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
CID 84572379
N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide
CID 84572169

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide (CID 84572452) is N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide is COc1ccc(OCCn2ccc(=O)c(OCC(=O)c3ccc(NC(C)=O)cc3)c2C)cc1.
What is the InChIKey of N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide?
The InChIKey is APTHIUNWOIEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-17-25(33-16-24(30)19-4-6-20(7-5-19)26-18(2)28)23(29)12-13-27(17)14-15-32-22-10-8-21(31-3)9-11-22/h4-13H,14-16H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide?
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide has a molecular weight of 450.49 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide is sourced from PubChem (CID 84572452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).