2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one

C13H19NO3 — CID 116746948

IUPAC2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
SMILESCCOC(C)(CC)C(=O)c1cncc(OC)c1
InChIInChI=1S/C13H19NO3/c1-5-13(3,17-6-2)12(15)10-7-11(16-4)9-14-8-10/h7-9H,5-6H2,1-4H3
InChIKeySJGPWYQVMWUKMY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.48
Rot. Bonds6

About 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one

2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one (PubChem CID 116746948) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
PubChem CID116746948
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
SMILESCCOC(C)(CC)C(=O)c1cncc(OC)c1
InChIInChI=1S/C13H19NO3/c1-5-13(3,17-6-2)12(15)10-7-11(16-4)9-14-8-10/h7-9H,5-6H2,1-4H3
InChIKeySJGPWYQVMWUKMY-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746637
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethylpentan-1-one
CID 115793471
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
3-(tert-butylamino)-1-(5-methoxy-3-pyridinyl)propan-1-one
CID 116557911
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
1-(3-chlorophenyl)-2-ethoxy-2-methylbutan-1-one
CID 116747032
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
CID 116609044
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one?
The IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one (CID 116746948) is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one?
The canonical SMILES for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one is CCOC(C)(CC)C(=O)c1cncc(OC)c1.
What is the InChIKey of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one?
The InChIKey is SJGPWYQVMWUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-13(3,17-6-2)12(15)10-7-11(16-4)9-14-8-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one?
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one is sourced from PubChem (CID 116746948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).