2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

C15H21NO4 — CID 60701152

IUPAC2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO4/c1-10-5-6-13(12(3)17)14(7-10)20-9-15(18)16-11(2)8-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18)
InChIKeyOMDWAYVHLNLLFH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds7

About 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 60701152) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID60701152
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO4/c1-10-5-6-13(12(3)17)14(7-10)20-9-15(18)16-11(2)8-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18)
InChIKeyOMDWAYVHLNLLFH-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 107673588

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 60701152) is 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1cc(C)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is OMDWAYVHLNLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-5-6-13(12(3)17)14(7-10)20-9-15(18)16-11(2)8-19-4/h5-7,11H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 60701152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).