ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate

C17H19NO3 — CID 54223588

IUPACethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(OC)(c1cccnc1)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-4-21-16(19)17(20-3,14-9-7-11-18-12-14)15-10-6-5-8-13(15)2/h5-12H,4H2,1-3H3
InChIKeyQEHQYWKLOXAGKI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate

ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate (PubChem CID 54223588) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate
PubChem CID54223588
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(OC)(c1cccnc1)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-4-21-16(19)17(20-3,14-9-7-11-18-12-14)15-10-6-5-8-13(15)2/h5-12H,4H2,1-3H3
InChIKeyQEHQYWKLOXAGKI-UHFFFAOYSA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
ethyl 2-hydroxy-3-nitro-2-pyridin-3-ylpropanoate
CID 167441467
ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
CID 175234972
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid
CID 68961780
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
CID 117048998
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate?
The IUPAC name of ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate (CID 54223588) is ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate.
What is the SMILES notation for ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate?
The canonical SMILES for ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate is CCOC(=O)C(OC)(c1cccnc1)c1ccccc1C.
What is the InChIKey of ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate?
The InChIKey is QEHQYWKLOXAGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-16(19)17(20-3,14-9-7-11-18-12-14)15-10-6-5-8-13(15)2/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate?
ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate has a molecular weight of 285.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate is sourced from PubChem (CID 54223588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).