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

C26H42N2O2 — CID 10787968

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)27-19-18-22-21-28-25-17-16-23(29)20-24(22)25/h16-17,20-21,28-29H,2-15,18-19H2,1H3,(H,27,30)
InChIKeyAKQOZSXOPVLUHA-UHFFFAOYSA-N
MW414.63 g/mol
LogP7.01
Rot. Bonds17

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

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide (PubChem CID 10787968) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide
PubChem CID10787968
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)27-19-18-22-21-28-25-17-16-23(29)20-24(22)25/h16-17,20-21,28-29H,2-15,18-19H2,1H3,(H,27,30)
InChIKeyAKQOZSXOPVLUHA-UHFFFAOYSA-N
XLogP7.01
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide (CID 10787968) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide?
The InChIKey is AKQOZSXOPVLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)27-19-18-22-21-28-25-17-16-23(29)20-24(22)25/h16-17,20-21,28-29H,2-15,18-19H2,1H3,(H,27,30).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide has a molecular weight of 414.63 g/mol, XLogP of 7.01, 17 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]hexadecanamide is sourced from PubChem (CID 10787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).