ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate

C17H19NO2 — CID 162399219

IUPACethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H19NO2/c1-4-20-16(19)17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,4H2,1-3H3
InChIKeyGOUVVXGUMIPQFO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.59
Rot. Bonds4

About ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate

ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate (PubChem CID 162399219) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate
PubChem CID162399219
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H19NO2/c1-4-20-16(19)17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,4H2,1-3H3
InChIKeyGOUVVXGUMIPQFO-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.59
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-(3-pyridin-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate (CID 162399219) is ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate is CCOC(=O)C(C)(C)c1cccc(-c2ccccn2)c1.
What is the InChIKey of ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate?
The InChIKey is GOUVVXGUMIPQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-20-16(19)17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate?
ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(3-pyridin-2-ylphenyl)propanoate is sourced from PubChem (CID 162399219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).