2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C16H18N2O2 — CID 2977532

IUPAC2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12-6-3-4-8-15(12)20-13(2)16(19)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyLJQFGPASLGGFDI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2977532) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2977532
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12-6-3-4-8-15(12)20-13(2)16(19)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyLJQFGPASLGGFDI-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 2977532) is 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is Cc1ccccc1OC(C)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LJQFGPASLGGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-3-4-8-15(12)20-13(2)16(19)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2977532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).