2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide

C13H19NO5 — CID 61485540

IUPAC2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(OC)cc1CO
InChIInChI=1S/C13H19NO5/c1-17-6-5-14-13(16)9-19-12-4-3-11(18-2)7-10(12)8-15/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyLFHLJXYHKHWYOO-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.33
Rot. Bonds8

About 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 61485540) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID61485540
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(OC)cc1CO
InChIInChI=1S/C13H19NO5/c1-17-6-5-14-13(16)9-19-12-4-3-11(18-2)7-10(12)8-15/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyLFHLJXYHKHWYOO-UHFFFAOYSA-N
XLogP0.33
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485467
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489494
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide (CID 61485540) is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(OC)cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is LFHLJXYHKHWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-17-6-5-14-13(16)9-19-12-4-3-11(18-2)7-10(12)8-15/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61485540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).