N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide

C16H28N4O4 — CID 166975492

IUPACN-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1cn(CCOCCOCC(C)C)nn1
InChIInChI=1S/C16H28N4O4/c1-13(2)12-24-9-8-23-7-6-20-11-15(18-19-20)10-17-16(22)5-4-14(3)21/h11,13H,4-10,12H2,1-3H3,(H,17,22)
InChIKeyOMKHVOHWXWCXME-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.95
Rot. Bonds13

About N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide

N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide (PubChem CID 166975492) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide
PubChem CID166975492
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1cn(CCOCCOCC(C)C)nn1
InChIInChI=1S/C16H28N4O4/c1-13(2)12-24-9-8-23-7-6-20-11-15(18-19-20)10-17-16(22)5-4-14(3)21/h11,13H,4-10,12H2,1-3H3,(H,17,22)
InChIKeyOMKHVOHWXWCXME-UHFFFAOYSA-N
XLogP0.95
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide?
The IUPAC name of N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide (CID 166975492) is N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide.
What is the SMILES notation for N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide?
The canonical SMILES for N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCc1cn(CCOCCOCC(C)C)nn1.
What is the InChIKey of N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide?
The InChIKey is OMKHVOHWXWCXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-13(2)12-24-9-8-23-7-6-20-11-15(18-19-20)10-17-16(22)5-4-14(3)21/h11,13H,4-10,12H2,1-3H3,(H,17,22).
What are the key properties of N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide?
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide has a molecular weight of 340.42 g/mol, XLogP of 0.95, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-oxopentanamide is sourced from PubChem (CID 166975492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).