2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide

C14H26N4O3 — CID 66216759

IUPAC2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(C(OCC)OCC)nn1
InChIInChI=1S/C14H26N4O3/c1-5-8-11(4)15-13(19)10-18-9-12(16-17-18)14(20-6-2)21-7-3/h9,11,14H,5-8,10H2,1-4H3,(H,15,19)
InChIKeyLZIMQHLQZDLEDS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.65
Rot. Bonds10

About 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide

2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 66216759) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID66216759
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(C(OCC)OCC)nn1
InChIInChI=1S/C14H26N4O3/c1-5-8-11(4)15-13(19)10-18-9-12(16-17-18)14(20-6-2)21-7-3/h9,11,14H,5-8,10H2,1-4H3,(H,15,19)
InChIKeyLZIMQHLQZDLEDS-UHFFFAOYSA-N
XLogP1.65
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66214550
2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 66214348
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
methyl 1-[2-(heptan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103720880
N-benzyl-2-[4-(diethoxymethyl)triazol-1-yl]-N-ethylacetamide
CID 113242467
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
1-[2-[4-(diethoxymethyl)triazol-1-yl]ethyl]pyridin-2-one
CID 82899913
1-[4-(diethoxymethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114497647
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide (CID 66216759) is 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cc(C(OCC)OCC)nn1.
What is the InChIKey of 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is LZIMQHLQZDLEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-8-11(4)15-13(19)10-18-9-12(16-17-18)14(20-6-2)21-7-3/h9,11,14H,5-8,10H2,1-4H3,(H,15,19).
What are the key properties of 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 66216759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).