N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide

C21H32N2O2 — CID 24749270

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-6-7-8-9-10-21(25)22-14-13-17-16-23-20-12-11-18(24)15-19(17)20/h11-12,15-16,23-24H,2-10,13-14H2,1H3,(H,22,25)
InChIKeyRNYSECALLZNZML-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.06
Rot. Bonds12

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide (PubChem CID 24749270) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide
PubChem CID24749270
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-6-7-8-9-10-21(25)22-14-13-17-16-23-20-12-11-18(24)15-19(17)20/h11-12,15-16,23-24H,2-10,13-14H2,1H3,(H,22,25)
InChIKeyRNYSECALLZNZML-UHFFFAOYSA-N
XLogP5.06
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide (CID 24749270) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide is CCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide?
The InChIKey is RNYSECALLZNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-3-4-5-6-7-8-9-10-21(25)22-14-13-17-16-23-20-12-11-18(24)15-19(17)20/h11-12,15-16,23-24H,2-10,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide has a molecular weight of 344.50 g/mol, XLogP of 5.06, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide is sourced from PubChem (CID 24749270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).