N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide

C24H24N2O7 — CID 84572442

IUPACN-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1
InChIInChI=1S/C24H24N2O7/c1-16-24(31-14-23(28)25-17-3-8-21-22(13-17)33-15-32-21)20(27)9-10-26(16)11-12-30-19-6-4-18(29-2)5-7-19/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyWMYAISRWAJMXIQ-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.99
Rot. Bonds9

About N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 84572442) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
PubChem CID84572442
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1
InChIInChI=1S/C24H24N2O7/c1-16-24(31-14-23(28)25-17-3-8-21-22(13-17)33-15-32-21)20(27)9-10-26(16)11-12-30-19-6-4-18(29-2)5-7-19/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyWMYAISRWAJMXIQ-UHFFFAOYSA-N
XLogP2.99
TPSA97.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(3-chloro-4-methoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52900780
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2510669
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide (CID 84572442) is N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide is COc1ccc(OCCn2ccc(=O)c(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is WMYAISRWAJMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-16-24(31-14-23(28)25-17-3-8-21-22(13-17)33-15-32-21)20(27)9-10-26(16)11-12-30-19-6-4-18(29-2)5-7-19/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 452.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 84572442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).