2-(4-hydroxyphenyl)-N-octylacetamide

C16H25NO2 — CID 13309827

IUPAC2-(4-hydroxyphenyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-12-17-16(19)13-14-8-10-15(18)11-9-14/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)
InChIKeyYAWHEQAIKUUMSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds9

About 2-(4-hydroxyphenyl)-N-octylacetamide

2-(4-hydroxyphenyl)-N-octylacetamide (PubChem CID 13309827) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-octylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-octylacetamide
PubChem CID13309827
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-hydroxyphenyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-12-17-16(19)13-14-8-10-15(18)11-9-14/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)
InChIKeyYAWHEQAIKUUMSR-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N-decyl-4-hydroxybenzamide
CID 15277871
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-octylacetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-octylacetamide (CID 13309827) is 2-(4-hydroxyphenyl)-N-octylacetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-octylacetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-octylacetamide is CCCCCCCCNC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-octylacetamide?
The InChIKey is YAWHEQAIKUUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-12-17-16(19)13-14-8-10-15(18)11-9-14/h8-11,18H,2-7,12-13H2,1H3,(H,17,19).
What are the key properties of 2-(4-hydroxyphenyl)-N-octylacetamide?
2-(4-hydroxyphenyl)-N-octylacetamide has a molecular weight of 263.38 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-octylacetamide is sourced from PubChem (CID 13309827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).