6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide

C20H28N4O4 — CID 164565007

IUPAC6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide
SMILESCC1CCC(O)[C@@H](Oc2ccc(-c3cn(CCCCCC(N)=O)nn3)cc2)O1
InChIInChI=1S/C20H28N4O4/c1-14-6-11-18(25)20(27-14)28-16-9-7-15(8-10-16)17-13-24(23-22-17)12-4-2-3-5-19(21)26/h7-10,13-14,18,20,25H,2-6,11-12H2,1H3,(H2,21,26)/t14?,18?,20-/m1/s1
InChIKeyOHPHEWDFJVFULT-FPMRRHDISA-N
MW388.47 g/mol
LogP2.26
Rot. Bonds9

About 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide

6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide (PubChem CID 164565007) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide.

Molecular Properties

Compound Name6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide
PubChem CID164565007
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide
SMILESCC1CCC(O)[C@@H](Oc2ccc(-c3cn(CCCCCC(N)=O)nn3)cc2)O1
InChIInChI=1S/C20H28N4O4/c1-14-6-11-18(25)20(27-14)28-16-9-7-15(8-10-16)17-13-24(23-22-17)12-4-2-3-5-19(21)26/h7-10,13-14,18,20,25H,2-6,11-12H2,1H3,(H2,21,26)/t14?,18?,20-/m1/s1
InChIKeyOHPHEWDFJVFULT-FPMRRHDISA-N
XLogP2.26
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide 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 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide?
The IUPAC name of 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide (CID 164565007) is 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide.
What is the SMILES notation for 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide?
The canonical SMILES for 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide is CC1CCC(O)[C@@H](Oc2ccc(-c3cn(CCCCCC(N)=O)nn3)cc2)O1.
What is the InChIKey of 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide?
The InChIKey is OHPHEWDFJVFULT-FPMRRHDISA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14-6-11-18(25)20(27-14)28-16-9-7-15(8-10-16)17-13-24(23-22-17)12-4-2-3-5-19(21)26/h7-10,13-14,18,20,25H,2-6,11-12H2,1H3,(H2,21,26)/t14?,18?,20-/m1/s1.
What are the key properties of 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide?
6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide has a molecular weight of 388.47 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide is sourced from PubChem (CID 164565007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).