N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide

C12H17NO4 — CID 106843375

IUPACN-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCCCO
InChIInChI=1S/C12H17NO4/c14-8-4-3-7-13-12(16)9-17-11-6-2-1-5-10(11)15/h1-2,5-6,14-15H,3-4,7-9H2,(H,13,16)
InChIKeyPLFPLMRGYPLFFI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.66
Rot. Bonds7

About N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide

N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide (PubChem CID 106843375) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
PubChem CID106843375
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCCCO
InChIInChI=1S/C12H17NO4/c14-8-4-3-7-13-12(16)9-17-11-6-2-1-5-10(11)15/h1-2,5-6,14-15H,3-4,7-9H2,(H,13,16)
InChIKeyPLFPLMRGYPLFFI-UHFFFAOYSA-N
XLogP0.66
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
CID 60637211
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide (CID 106843375) is N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is PLFPLMRGYPLFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-8-4-3-7-13-12(16)9-17-11-6-2-1-5-10(11)15/h1-2,5-6,14-15H,3-4,7-9H2,(H,13,16).
What are the key properties of N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 239.27 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 106843375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).