2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide

C13H24N4O4 — CID 66214348

IUPAC2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOC(OCC)c1cn(CC(=O)NCCCOC)nn1
InChIInChI=1S/C13H24N4O4/c1-4-20-13(21-5-2)11-9-17(16-15-11)10-12(18)14-7-6-8-19-3/h9,13H,4-8,10H2,1-3H3,(H,14,18)
InChIKeyVMHYQHWFNSOUKJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.50
Rot. Bonds11

About 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 66214348) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID66214348
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOC(OCC)c1cn(CC(=O)NCCCOC)nn1
InChIInChI=1S/C13H24N4O4/c1-4-20-13(21-5-2)11-9-17(16-15-11)10-12(18)14-7-6-8-19-3/h9,13H,4-8,10H2,1-3H3,(H,14,18)
InChIKeyVMHYQHWFNSOUKJ-UHFFFAOYSA-N
XLogP0.50
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66216759
2-amino-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735160
4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
CID 103185068
2-[4-(4-aminobutyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106209416
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66214550
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622294
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide (CID 66214348) is 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide is CCOC(OCC)c1cn(CC(=O)NCCCOC)nn1.
What is the InChIKey of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VMHYQHWFNSOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-20-13(21-5-2)11-9-17(16-15-11)10-12(18)14-7-6-8-19-3/h9,13H,4-8,10H2,1-3H3,(H,14,18).
What are the key properties of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 66214348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).