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

C34H58N2O — CID 10174581

IUPACN-[2-(1H-indol-3-yl)ethyl]tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)
InChIKeyLQPINJBBNVSTDE-UHFFFAOYSA-N
MW510.85 g/mol
LogP10.43
Rot. Bonds25

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

N-[2-(1H-indol-3-yl)ethyl]tetracosanamide (PubChem CID 10174581) has the molecular formula C34H58N2O and a molecular weight of 510.85 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]tetracosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]tetracosanamide
PubChem CID10174581
Molecular FormulaC34H58N2O
Molecular Weight510.85 g/mol
Exact Mass510.45
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)
InChIKeyLQPINJBBNVSTDE-UHFFFAOYSA-N
XLogP10.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.85
LogP ≤ 510.43
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]tetracosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]tetracosanamide (CID 10174581) is N-[2-(1H-indol-3-yl)ethyl]tetracosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]tetracosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]tetracosanamide is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]tetracosanamide?
The InChIKey is LQPINJBBNVSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]tetracosanamide?
N-[2-(1H-indol-3-yl)ethyl]tetracosanamide has a molecular weight of 510.85 g/mol, XLogP of 10.43, 25 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]tetracosanamide is sourced from PubChem (CID 10174581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).