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

C32H54N2O — CID 10311044

IUPACN-[2-(1H-indol-3-yl)ethyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)
InChIKeyHAWFHRQOMIMGFR-UHFFFAOYSA-N
MW482.80 g/mol
LogP9.65
Rot. Bonds23

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

N-[2-(1H-indol-3-yl)ethyl]docosanamide (PubChem CID 10311044) has the molecular formula C32H54N2O and a molecular weight of 482.80 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]docosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]docosanamide
PubChem CID10311044
Molecular FormulaC32H54N2O
Molecular Weight482.80 g/mol
Exact Mass482.42
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)
InChIKeyHAWFHRQOMIMGFR-UHFFFAOYSA-N
XLogP9.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(1H-indol-3-yl)ethyl]docosanamide 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-(1H-indol-3-yl)ethyl]docosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]docosanamide (CID 10311044) is N-[2-(1H-indol-3-yl)ethyl]docosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]docosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]docosanamide?
The InChIKey is HAWFHRQOMIMGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]docosanamide?
N-[2-(1H-indol-3-yl)ethyl]docosanamide has a molecular weight of 482.80 g/mol, XLogP of 9.65, 23 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]docosanamide is sourced from PubChem (CID 10311044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).