2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide

C13H19NO4 — CID 107680229

IUPAC2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)cc(O)c1
InChIInChI=1S/C13H19NO4/c1-9-6-11(15)8-12(7-9)18-10(2)13(16)14-4-5-17-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyLASDXJGPRZFMHT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds6

About 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide

2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 107680229) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID107680229
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)cc(O)c1
InChIInChI=1S/C13H19NO4/c1-9-6-11(15)8-12(7-9)18-10(2)13(16)14-4-5-17-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyLASDXJGPRZFMHT-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-5-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 107679972
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide (CID 107680229) is 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cc(C)cc(O)c1.
What is the InChIKey of 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is LASDXJGPRZFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-6-11(15)8-12(7-9)18-10(2)13(16)14-4-5-17-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide?
2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107680229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).