2-(3-acetylphenoxy)-N-cyclohexylacetamide

C16H21NO3 — CID 2708999

IUPAC2-(3-acetylphenoxy)-N-cyclohexylacetamide
SMILESCC(=O)c1cccc(OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12(18)13-6-5-9-15(10-13)20-11-16(19)17-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeySYMJCBHWQYHXAT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-cyclohexylacetamide

2-(3-acetylphenoxy)-N-cyclohexylacetamide (PubChem CID 2708999) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-cyclohexylacetamide
PubChem CID2708999
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(3-acetylphenoxy)-N-cyclohexylacetamide
SMILESCC(=O)c1cccc(OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12(18)13-6-5-9-15(10-13)20-11-16(19)17-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeySYMJCBHWQYHXAT-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-cyclohexylacetamide (CID 2708999) is 2-(3-acetylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-cyclohexylacetamide is CC(=O)c1cccc(OCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-cyclohexylacetamide?
The InChIKey is SYMJCBHWQYHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)13-6-5-9-15(10-13)20-11-16(19)17-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,17,19).
What are the key properties of 2-(3-acetylphenoxy)-N-cyclohexylacetamide?
2-(3-acetylphenoxy)-N-cyclohexylacetamide has a molecular weight of 275.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 2708999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).