2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C16H16N2O3 — CID 40628702

IUPAC2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-5-4-7-15(9-13)21-11-16(20)18-10-14-6-2-3-8-17-14/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMMGBLVLYMSAJRD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 40628702) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID40628702
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-5-4-7-15(9-13)21-11-16(20)18-10-14-6-2-3-8-17-14/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMMGBLVLYMSAJRD-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 134017563
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55807297
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 173044745
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 40628702) is 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)c1cccc(OCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MMGBLVLYMSAJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)13-5-4-7-15(9-13)21-11-16(20)18-10-14-6-2-3-8-17-14/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 40628702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).