2-(2-acetylphenoxy)-N-pentan-2-ylacetamide

C15H21NO3 — CID 60626000

IUPAC2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C15H21NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyRIFPWSVQELKNBR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds7

About 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide

2-(2-acetylphenoxy)-N-pentan-2-ylacetamide (PubChem CID 60626000) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
PubChem CID60626000
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C15H21NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyRIFPWSVQELKNBR-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
2-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide (CID 60626000) is 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide?
The InChIKey is RIFPWSVQELKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide?
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60626000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).