N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide

C20H34N2O2 — CID 86304108

IUPACN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C20H34N2O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)22-20-16(3)15(2)19(24)17(4)21-20/h24H,5-14H2,1-4H3,(H,21,22,23)
InChIKeyGSMRORRNTCUJSX-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.57
Rot. Bonds11

About N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide

N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide (PubChem CID 86304108) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide.

Molecular Properties

Compound NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide
PubChem CID86304108
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nc(C)c(O)c(C)c1C
InChIInChI=1S/C20H34N2O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)22-20-16(3)15(2)19(24)17(4)21-20/h24H,5-14H2,1-4H3,(H,21,22,23)
InChIKeyGSMRORRNTCUJSX-UHFFFAOYSA-N
XLogP5.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.57
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-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide?
The IUPAC name of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide (CID 86304108) is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide.
What is the SMILES notation for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide?
The canonical SMILES for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1nc(C)c(O)c(C)c1C.
What is the InChIKey of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide?
The InChIKey is GSMRORRNTCUJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)22-20-16(3)15(2)19(24)17(4)21-20/h24H,5-14H2,1-4H3,(H,21,22,23).
What are the key properties of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide?
N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide has a molecular weight of 334.50 g/mol, XLogP of 5.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)dodecanamide is sourced from PubChem (CID 86304108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).