N-(2-pyridin-4-ylethyl)tetradecanamide

C21H36N2O — CID 101347310

IUPACN-(2-pyridin-4-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCc1ccncc1
InChIInChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(24)23-19-16-20-14-17-22-18-15-20/h14-15,17-18H,2-13,16,19H2,1H3,(H,23,24)
InChIKeyHAWLLSSWIFVXFR-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.44
Rot. Bonds15

About N-(2-pyridin-4-ylethyl)tetradecanamide

N-(2-pyridin-4-ylethyl)tetradecanamide (PubChem CID 101347310) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)tetradecanamide
PubChem CID101347310
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-(2-pyridin-4-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCc1ccncc1
InChIInChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(24)23-19-16-20-14-17-22-18-15-20/h14-15,17-18H,2-13,16,19H2,1H3,(H,23,24)
InChIKeyHAWLLSSWIFVXFR-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-(3-pyridin-4-ylsulfanylpropyl)decanamide
CID 15295248
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
N-(5-pyridin-4-ylsulfanylpentyl)decanamide
CID 15295254
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)tetradecanamide?
The IUPAC name of N-(2-pyridin-4-ylethyl)tetradecanamide (CID 101347310) is N-(2-pyridin-4-ylethyl)tetradecanamide.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)tetradecanamide?
The canonical SMILES for N-(2-pyridin-4-ylethyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)tetradecanamide?
The InChIKey is HAWLLSSWIFVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(24)23-19-16-20-14-17-22-18-15-20/h14-15,17-18H,2-13,16,19H2,1H3,(H,23,24).
What are the key properties of N-(2-pyridin-4-ylethyl)tetradecanamide?
N-(2-pyridin-4-ylethyl)tetradecanamide has a molecular weight of 332.53 g/mol, XLogP of 5.44, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)tetradecanamide is sourced from PubChem (CID 101347310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).