2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide

C14H19NO4 — CID 60701029

IUPAC2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-10-4-5-12(11(2)16)13(8-10)19-9-14(17)15-6-7-18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyQEYOFKIZCOXYPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds7

About 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 60701029) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID60701029
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-10-4-5-12(11(2)16)13(8-10)19-9-14(17)15-6-7-18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyQEYOFKIZCOXYPY-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60701199
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 63651716
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide (CID 60701029) is 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1cc(C)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is QEYOFKIZCOXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-4-5-12(11(2)16)13(8-10)19-9-14(17)15-6-7-18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.34, 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60701029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).