ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate

C18H21NO2 — CID 117048998

IUPACethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccncc1)c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-4-21-17(20)18(3,13-15-9-11-19-12-10-15)16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyLGXAMFLBOOYKNC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds5

About ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate

ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate (PubChem CID 117048998) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
PubChem CID117048998
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccncc1)c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-4-21-17(20)18(3,13-15-9-11-19-12-10-15)16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyLGXAMFLBOOYKNC-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate (CID 117048998) is ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate is CCOC(=O)C(C)(Cc1ccncc1)c1ccccc1C.
What is the InChIKey of ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate?
The InChIKey is LGXAMFLBOOYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-17(20)18(3,13-15-9-11-19-12-10-15)16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate?
ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate has a molecular weight of 283.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 117048998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).