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

C13H24N4O3 — CID 66214550

IUPAC2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCOC(OCC)c1cn(CC(=O)N(C)C(C)C)nn1
InChIInChI=1S/C13H24N4O3/c1-6-19-13(20-7-2)11-8-17(15-14-11)9-12(18)16(5)10(3)4/h8,10,13H,6-7,9H2,1-5H3
InChIKeyRPMOUFDEKDCJMS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.22
Rot. Bonds8

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

2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 66214550) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID66214550
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCOC(OCC)c1cn(CC(=O)N(C)C(C)C)nn1
InChIInChI=1S/C13H24N4O3/c1-6-19-13(20-7-2)11-8-17(15-14-11)9-12(18)16(5)10(3)4/h8,10,13H,6-7,9H2,1-5H3
InChIKeyRPMOUFDEKDCJMS-UHFFFAOYSA-N
XLogP1.22
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 66214550) is 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide is CCOC(OCC)c1cn(CC(=O)N(C)C(C)C)nn1.
What is the InChIKey of 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is RPMOUFDEKDCJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-6-19-13(20-7-2)11-8-17(15-14-11)9-12(18)16(5)10(3)4/h8,10,13H,6-7,9H2,1-5H3.
What are the key properties of 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66214550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).