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

C28H46N2O — CID 11796710

IUPACN-[2-(1H-indol-3-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
InChIKeyAIIVCXFBTONHDU-UHFFFAOYSA-N
MW426.69 g/mol
LogP8.09
Rot. Bonds19

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

N-[2-(1H-indol-3-yl)ethyl]octadecanamide (PubChem CID 11796710) has the molecular formula C28H46N2O and a molecular weight of 426.69 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]octadecanamide
PubChem CID11796710
Molecular FormulaC28H46N2O
Molecular Weight426.69 g/mol
Exact Mass426.36
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
InChIKeyAIIVCXFBTONHDU-UHFFFAOYSA-N
XLogP8.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 58.09
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]octadecanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]octadecanamide (CID 11796710) is N-[2-(1H-indol-3-yl)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]octadecanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]octadecanamide?
The InChIKey is AIIVCXFBTONHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]octadecanamide?
N-[2-(1H-indol-3-yl)ethyl]octadecanamide has a molecular weight of 426.69 g/mol, XLogP of 8.09, 19 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]octadecanamide is sourced from PubChem (CID 11796710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).