1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone

C18H24N4O3 — CID 100830210

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
SMILESCc1cccc(OCc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nn2)c1
InChIInChI=1S/C18H24N4O3/c1-13-5-4-6-17(7-13)24-12-16-10-22(20-19-16)11-18(23)21-8-14(2)25-15(3)9-21/h4-7,10,14-15H,8-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyXSKPWJVQVNJKBT-HUUCEWRRSA-N
MW344.42 g/mol
LogP1.80
Rot. Bonds5

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone (PubChem CID 100830210) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
PubChem CID100830210
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
SMILESCc1cccc(OCc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nn2)c1
InChIInChI=1S/C18H24N4O3/c1-13-5-4-6-17(7-13)24-12-16-10-22(20-19-16)11-18(23)21-8-14(2)25-15(3)9-21/h4-7,10,14-15H,8-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyXSKPWJVQVNJKBT-HUUCEWRRSA-N
XLogP1.80
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone with MolForge

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Related Compounds

2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110210643
1-(4-ethylpiperazin-1-yl)-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830216
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
CID 66193325
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 100830284
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
1-(2,6-dimethylmorpholin-4-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 4589826
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone (CID 100830210) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone is Cc1cccc(OCc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nn2)c1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone?
The InChIKey is XSKPWJVQVNJKBT-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-5-4-6-17(7-13)24-12-16-10-22(20-19-16)11-18(23)21-8-14(2)25-15(3)9-21/h4-7,10,14-15H,8-9,11-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone is sourced from PubChem (CID 100830210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).