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

C14H21NO2 — CID 11839397

IUPAC2-ethyl-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-6-11(4-2)14(17)15-12-7-9-13(16)10-8-12/h7-11,16H,3-6H2,1-2H3,(H,15,17)
InChIKeySNKQVUKAHRDCIQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.55
Rot. Bonds6

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

2-ethyl-N-(4-hydroxyphenyl)hexanamide (PubChem CID 11839397) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-N-(4-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hydroxyphenyl)hexanamide
PubChem CID11839397
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-6-11(4-2)14(17)15-12-7-9-13(16)10-8-12/h7-11,16H,3-6H2,1-2H3,(H,15,17)
InChIKeySNKQVUKAHRDCIQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hydroxyphenyl)hexanamide?
The IUPAC name of 2-ethyl-N-(4-hydroxyphenyl)hexanamide (CID 11839397) is 2-ethyl-N-(4-hydroxyphenyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(4-hydroxyphenyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(4-hydroxyphenyl)hexanamide is CCCCC(CC)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-ethyl-N-(4-hydroxyphenyl)hexanamide?
The InChIKey is SNKQVUKAHRDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-6-11(4-2)14(17)15-12-7-9-13(16)10-8-12/h7-11,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-ethyl-N-(4-hydroxyphenyl)hexanamide?
2-ethyl-N-(4-hydroxyphenyl)hexanamide has a molecular weight of 235.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hydroxyphenyl)hexanamide is sourced from PubChem (CID 11839397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).