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

C15H21NO4 — CID 63651716

IUPAC2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,12H,7-8H2,1-4H3,(H,16,18)
InChIKeyCZRWTXBGDCOFJF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds7

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

2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 63651716) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID63651716
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,12H,7-8H2,1-4H3,(H,16,18)
InChIKeyCZRWTXBGDCOFJF-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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide (CID 63651716) is 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cc(C)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is CZRWTXBGDCOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,12H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide 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-(2-methoxyethyl)propanamide is sourced from PubChem (CID 63651716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).