methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate

C15H21NO4 — CID 155525711

IUPACmethyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
SMILESCOC(=O)COn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C15H21NO4/c1-11-8-13(12-6-4-3-5-7-12)16(14(17)9-11)20-10-15(18)19-2/h8-9,12H,3-7,10H2,1-2H3
InChIKeyOBMGIEVXNQSKKU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate

methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate (PubChem CID 155525711) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
PubChem CID155525711
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
SMILESCOC(=O)COn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C15H21NO4/c1-11-8-13(12-6-4-3-5-7-12)16(14(17)9-11)20-10-15(18)19-2/h8-9,12H,3-7,10H2,1-2H3
InChIKeyOBMGIEVXNQSKKU-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
CID 155552098
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-cyclohexyl-1-methoxy-4-methyl-1H-pyridin-2-one
CID 15102839
(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate
CID 58519895
6-Cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one
CID 149072680
6-Cyclohexyl-4-methyl-1-propoxypyridin-2-one
CID 163530033
6-Cyclohexyl-4-methyl-1-oxidopyridin-2-one
CID 5254725
(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate
CID 54759673
(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate
CID 54759674
(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate
CID 54759855
4-Methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one
CID 126456344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate (CID 155525711) is methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate is COC(=O)COn1c(C2CCCCC2)cc(C)cc1=O.
What is the InChIKey of methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate?
The InChIKey is OBMGIEVXNQSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-8-13(12-6-4-3-5-7-12)16(14(17)9-11)20-10-15(18)19-2/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate?
methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate is sourced from PubChem (CID 155525711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).