11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide

C25H43NO4 — CID 11524622

IUPAC11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide
SMILESCCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O
InChIInChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(21-24(22)28)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
InChIKeyRBYBXIHVTQUTHX-UHFFFAOYSA-N
MW421.62 g/mol
LogP5.51
Rot. Bonds19

About 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide

11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide (PubChem CID 11524622) has the molecular formula C25H43NO4 and a molecular weight of 421.62 g/mol. Its IUPAC name is 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide.

Molecular Properties

Compound Name11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide
PubChem CID11524622
Molecular FormulaC25H43NO4
Molecular Weight421.62 g/mol
Exact Mass421.32
IUPAC Name11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide
SMILESCCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O
InChIInChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(21-24(22)28)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
InChIKeyRBYBXIHVTQUTHX-UHFFFAOYSA-N
XLogP5.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide?
The IUPAC name of 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide (CID 11524622) is 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide.
What is the SMILES notation for 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide?
The canonical SMILES for 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide is CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O.
What is the InChIKey of 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide?
The InChIKey is RBYBXIHVTQUTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(21-24(22)28)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29).
What are the key properties of 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide?
11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide has a molecular weight of 421.62 g/mol, XLogP of 5.51, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-hexyl-3-hydroxyphenoxy)-N-(2-hydroxyethyl)undecanamide is sourced from PubChem (CID 11524622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).