2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one

C13H19NO2 — CID 116747615

IUPAC2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H19NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9H,5-6H2,1-4H3
InChIKeyGECIJDFWPKPWAL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.78
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one

2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 116747615) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID116747615
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H19NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9H,5-6H2,1-4H3
InChIKeyGECIJDFWPKPWAL-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 79050965
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
CID 116747607
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-2-methoxybutan-1-one
CID 116747641
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
CID 105098804
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116558385
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one (CID 116747615) is 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one is CCC(CC)(OC)C(=O)c1ccc(C)nc1.
What is the InChIKey of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is GECIJDFWPKPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one?
2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116747615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).