4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide

C15H26N4O4 — CID 167491086

IUPAC4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide
SMILESCCCOCCOCCn1cc(CNC(=O)CCC(C)=O)nn1
InChIInChI=1S/C15H26N4O4/c1-3-7-22-9-10-23-8-6-19-12-14(17-18-19)11-16-15(21)5-4-13(2)20/h12H,3-11H2,1-2H3,(H,16,21)
InChIKeyJFPUBHYOPOOEIB-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.71
Rot. Bonds13

About 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide

4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide (PubChem CID 167491086) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide
PubChem CID167491086
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide
SMILESCCCOCCOCCn1cc(CNC(=O)CCC(C)=O)nn1
InChIInChI=1S/C15H26N4O4/c1-3-7-22-9-10-23-8-6-19-12-14(17-18-19)11-16-15(21)5-4-13(2)20/h12H,3-11H2,1-2H3,(H,16,21)
InChIKeyJFPUBHYOPOOEIB-UHFFFAOYSA-N
XLogP0.71
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide?
The IUPAC name of 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide (CID 167491086) is 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide?
The canonical SMILES for 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide is CCCOCCOCCn1cc(CNC(=O)CCC(C)=O)nn1.
What is the InChIKey of 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide?
The InChIKey is JFPUBHYOPOOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-3-7-22-9-10-23-8-6-19-12-14(17-18-19)11-16-15(21)5-4-13(2)20/h12H,3-11H2,1-2H3,(H,16,21).
What are the key properties of 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide?
4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide has a molecular weight of 326.40 g/mol, XLogP of 0.71, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pentanamide is sourced from PubChem (CID 167491086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).