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

C15H16N2O2 — CID 650967

IUPAC2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-12(19-14-7-3-2-4-8-14)15(18)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyWPPWVLLHTRKZHE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.17
Rot. Bonds5

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

2-phenoxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 650967) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID650967
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-12(19-14-7-3-2-4-8-14)15(18)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyWPPWVLLHTRKZHE-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide (CID 650967) is 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide is CC(Oc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WPPWVLLHTRKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12(19-14-7-3-2-4-8-14)15(18)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18).
What are the key properties of 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide?
2-phenoxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 256.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 650967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).