butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate

C21H27NO6 — CID 84572238

IUPACbutan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
SMILESCCC(C)OC(=O)COc1c(C)n(CCOc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C21H27NO6/c1-5-15(2)28-20(24)14-27-21-16(3)22(11-10-19(21)23)12-13-26-18-8-6-17(25-4)7-9-18/h6-11,15H,5,12-14H2,1-4H3
InChIKeyKTRMSWSQNUFLQO-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.96
Rot. Bonds10

About butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate

butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate (PubChem CID 84572238) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namebutan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
PubChem CID84572238
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Namebutan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
SMILESCCC(C)OC(=O)COc1c(C)n(CCOc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C21H27NO6/c1-5-15(2)28-20(24)14-27-21-16(3)22(11-10-19(21)23)12-13-26-18-8-6-17(25-4)7-9-18/h6-11,15H,5,12-14H2,1-4H3
InChIKeyKTRMSWSQNUFLQO-UHFFFAOYSA-N
XLogP2.96
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
CID 84572401
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
CID 84572393
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
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
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-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
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
N-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
CID 3781390

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate?
The IUPAC name of butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate (CID 84572238) is butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate.
What is the SMILES notation for butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate?
The canonical SMILES for butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate is CCC(C)OC(=O)COc1c(C)n(CCOc2ccc(OC)cc2)ccc1=O.
What is the InChIKey of butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate?
The InChIKey is KTRMSWSQNUFLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-5-15(2)28-20(24)14-27-21-16(3)22(11-10-19(21)23)12-13-26-18-8-6-17(25-4)7-9-18/h6-11,15H,5,12-14H2,1-4H3.
What are the key properties of butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate?
butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate has a molecular weight of 389.45 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 84572238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).