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

Related Compounds

7-[4-[4-[(2R)-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
CID 164565038
[4-(dimethylamino)-2-[4-[1-[7-(hydroxyamino)-7-oxoheptyl]triazol-4-yl]phenoxy]-6-methyloxan-3-yl] acetate
CID 174206576
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
4-[4-(4-propylphenyl)triazol-1-yl]butanamide
CID 137472849
N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
CID 44585272
5-[4-[4-[2-(2-methylpentan-3-ylamino)-2-oxoethoxy]phenyl]triazol-1-yl]pentanoic acid
CID 166325865
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
[(2R,3S,6S)-3-acetyloxy-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 132568044
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[8-(4-phenyltriazol-1-yl)octoxy]oxan-2-yl]methyl acetate
CID 45103908
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-2-pyridin-2-ylacetamide
CID 54643437

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).