N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide

C21H36N2O2 — CID 71458407

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccnc1
InChIInChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21(25)23-18-20(24)19-14-13-16-22-17-19/h13-14,16-17,20,24H,2-12,15,18H2,1H3,(H,23,25)
InChIKeyQZGWUGYARDQJHW-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.93
Rot. Bonds15

About N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide

N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide (PubChem CID 71458407) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide
PubChem CID71458407
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccnc1
InChIInChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21(25)23-18-20(24)19-14-13-16-22-17-19/h13-14,16-17,20,24H,2-12,15,18H2,1H3,(H,23,25)
InChIKeyQZGWUGYARDQJHW-UHFFFAOYSA-N
XLogP4.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxy-2-pyridin-3-ylethyl)tetradecanamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide (CID 71458407) is N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(O)c1cccnc1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide?
The InChIKey is QZGWUGYARDQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21(25)23-18-20(24)19-14-13-16-22-17-19/h13-14,16-17,20,24H,2-12,15,18H2,1H3,(H,23,25).
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide has a molecular weight of 348.53 g/mol, XLogP of 4.93, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide is sourced from PubChem (CID 71458407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).