2-phenoxy-N-pyridin-2-ylbutanamide

C15H16N2O2 — CID 644606

IUPAC2-phenoxy-N-pyridin-2-ylbutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-2-13(19-12-8-4-3-5-9-12)15(18)17-14-10-6-7-11-16-14/h3-11,13H,2H2,1H3,(H,16,17,18)
InChIKeyCCLWZYQBFWCPOO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.88
Rot. Bonds5

About 2-phenoxy-N-pyridin-2-ylbutanamide

2-phenoxy-N-pyridin-2-ylbutanamide (PubChem CID 644606) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-phenoxy-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2-phenoxy-N-pyridin-2-ylbutanamide
PubChem CID644606
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-phenoxy-N-pyridin-2-ylbutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-2-13(19-12-8-4-3-5-9-12)15(18)17-14-10-6-7-11-16-14/h3-11,13H,2H2,1H3,(H,16,17,18)
InChIKeyCCLWZYQBFWCPOO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-2-ylbutanamide?
The IUPAC name of 2-phenoxy-N-pyridin-2-ylbutanamide (CID 644606) is 2-phenoxy-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 2-phenoxy-N-pyridin-2-ylbutanamide?
The canonical SMILES for 2-phenoxy-N-pyridin-2-ylbutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-phenoxy-N-pyridin-2-ylbutanamide?
The InChIKey is CCLWZYQBFWCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-13(19-12-8-4-3-5-9-12)15(18)17-14-10-6-7-11-16-14/h3-11,13H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-phenoxy-N-pyridin-2-ylbutanamide?
2-phenoxy-N-pyridin-2-ylbutanamide has a molecular weight of 256.31 g/mol, XLogP of 2.88, 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-2-ylbutanamide is sourced from PubChem (CID 644606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).