N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide

C28H46N2O2 — CID 594460

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)
InChIKeyFKWHKBXVLNKTGT-UHFFFAOYSA-N
MW442.69 g/mol
LogP7.79
Rot. Bonds19

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide (PubChem CID 594460) has the molecular formula C28H46N2O2 and a molecular weight of 442.69 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide
PubChem CID594460
Molecular FormulaC28H46N2O2
Molecular Weight442.69 g/mol
Exact Mass442.36
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)
InChIKeyFKWHKBXVLNKTGT-UHFFFAOYSA-N
XLogP7.79
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide (CID 594460) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide?
The InChIKey is FKWHKBXVLNKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide has a molecular weight of 442.69 g/mol, XLogP of 7.79, 19 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide is sourced from PubChem (CID 594460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).