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

C30H50N2O — CID 10127573

IUPACN-[2-(1H-indol-3-yl)ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)
InChIKeyPMYMGHIVWFOOOS-UHFFFAOYSA-N
MW454.74 g/mol
LogP8.87
Rot. Bonds21

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

N-[2-(1H-indol-3-yl)ethyl]icosanamide (PubChem CID 10127573) has the molecular formula C30H50N2O and a molecular weight of 454.74 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]icosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]icosanamide
PubChem CID10127573
Molecular FormulaC30H50N2O
Molecular Weight454.74 g/mol
Exact Mass454.39
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)
InChIKeyPMYMGHIVWFOOOS-UHFFFAOYSA-N
XLogP8.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 58.87
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]icosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]icosanamide (CID 10127573) is N-[2-(1H-indol-3-yl)ethyl]icosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]icosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]icosanamide?
The InChIKey is PMYMGHIVWFOOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]icosanamide?
N-[2-(1H-indol-3-yl)ethyl]icosanamide has a molecular weight of 454.74 g/mol, XLogP of 8.87, 21 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]icosanamide is sourced from PubChem (CID 10127573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).