N-[2-(4-hydroxyphenyl)ethyl]hexanamide

C14H21NO2 — CID 21446637

IUPACN-[2-(4-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-14(17)15-11-10-12-6-8-13(16)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyOOAYUBIIDJANMN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(4-hydroxyphenyl)ethyl]hexanamide

N-[2-(4-hydroxyphenyl)ethyl]hexanamide (PubChem CID 21446637) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]hexanamide
PubChem CID21446637
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-14(17)15-11-10-12-6-8-13(16)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyOOAYUBIIDJANMN-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
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-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
N-[2-(4-hydroxyphenyl)ethyl]-8-(3-octyl-1-tritylaziridin-2-yl)octanamide
CID 176828216
(2R)-N'-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-(octanoylamino)butanediamide
CID 162387272
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]hexanamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]hexanamide (CID 21446637) is N-[2-(4-hydroxyphenyl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]hexanamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]hexanamide is CCCCCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]hexanamide?
The InChIKey is OOAYUBIIDJANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-14(17)15-11-10-12-6-8-13(16)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]hexanamide?
N-[2-(4-hydroxyphenyl)ethyl]hexanamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 21446637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).