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

C36H62N2O — CID 10530465

IUPACN-[2-(1H-indol-3-yl)ethyl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)
InChIKeyRBGZJJPNEDSXQH-UHFFFAOYSA-N
MW538.91 g/mol
LogP11.21
Rot. Bonds27

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

N-[2-(1H-indol-3-yl)ethyl]hexacosanamide (PubChem CID 10530465) has the molecular formula C36H62N2O and a molecular weight of 538.91 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]hexacosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]hexacosanamide
PubChem CID10530465
Molecular FormulaC36H62N2O
Molecular Weight538.91 g/mol
Exact Mass538.49
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)
InChIKeyRBGZJJPNEDSXQH-UHFFFAOYSA-N
XLogP11.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 511.21
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]hexacosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]hexacosanamide (CID 10530465) is N-[2-(1H-indol-3-yl)ethyl]hexacosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]hexacosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]hexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]hexacosanamide?
The InChIKey is RBGZJJPNEDSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]hexacosanamide?
N-[2-(1H-indol-3-yl)ethyl]hexacosanamide has a molecular weight of 538.91 g/mol, XLogP of 11.21, 27 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]hexacosanamide is sourced from PubChem (CID 10530465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).