2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide

C17H32N4O4 — CID 157240697

IUPAC2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
SMILESCCCOCCOCCOCCn1cc(CCNC(=O)C(C)C)nn1
InChIInChI=1S/C17H32N4O4/c1-4-8-23-10-12-25-13-11-24-9-7-21-14-16(19-20-21)5-6-18-17(22)15(2)3/h14-15H,4-13H2,1-3H3,(H,18,22)
InChIKeyHIECCSRBMCXIEK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.05
Rot. Bonds15

About 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide (PubChem CID 157240697) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
PubChem CID157240697
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
SMILESCCCOCCOCCOCCn1cc(CCNC(=O)C(C)C)nn1
InChIInChI=1S/C17H32N4O4/c1-4-8-23-10-12-25-13-11-24-9-7-21-14-16(19-20-21)5-6-18-17(22)15(2)3/h14-15H,4-13H2,1-3H3,(H,18,22)
InChIKeyHIECCSRBMCXIEK-UHFFFAOYSA-N
XLogP1.05
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
ethane;(Z)-5-methyl-4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]hex-2-enamide
CID 178007945
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 169018887
2-[2-[4-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]triazol-1-yl]ethoxy]ethyl 2-methylpropanoate
CID 129076722
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
CID 176586839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide (CID 157240697) is 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide is CCCOCCOCCOCCn1cc(CCNC(=O)C(C)C)nn1.
What is the InChIKey of 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide?
The InChIKey is HIECCSRBMCXIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-4-8-23-10-12-25-13-11-24-9-7-21-14-16(19-20-21)5-6-18-17(22)15(2)3/h14-15H,4-13H2,1-3H3,(H,18,22).
What are the key properties of 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 1.05, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 157240697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).