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

C26H42N2O — CID 3726592

IUPACN-[2-(1H-indol-3-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
InChIKeyYZWBXGMMZOEBAN-UHFFFAOYSA-N
MW398.64 g/mol
LogP7.31
Rot. Bonds17

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

N-[2-(1H-indol-3-yl)ethyl]hexadecanamide (PubChem CID 3726592) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]hexadecanamide
PubChem CID3726592
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
InChIKeyYZWBXGMMZOEBAN-UHFFFAOYSA-N
XLogP7.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(1H-indol-3-yl)ethyl]hexadecanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]hexadecanamide (CID 3726592) is N-[2-(1H-indol-3-yl)ethyl]hexadecanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]hexadecanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]hexadecanamide?
The InChIKey is YZWBXGMMZOEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]hexadecanamide?
N-[2-(1H-indol-3-yl)ethyl]hexadecanamide has a molecular weight of 398.64 g/mol, XLogP of 7.31, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]hexadecanamide is sourced from PubChem (CID 3726592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).