[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone

C17H22N4O3 — CID 128978986

IUPAC[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C17H22N4O3/c1-12-15(19-20-18-12)16(22)21-9-14(24-17(2,3)11-21)10-23-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyDOBAZHVFCSUTCQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.81
Rot. Bonds4

About [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone

[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone (PubChem CID 128978986) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
PubChem CID128978986
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C17H22N4O3/c1-12-15(19-20-18-12)16(22)21-9-14(24-17(2,3)11-21)10-23-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyDOBAZHVFCSUTCQ-UHFFFAOYSA-N
XLogP1.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethyl-1,3-oxazol-4-yl)-[(6R)-2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methanone
CID 129487805
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
CID 122153629
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 167817550
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
CID 138032643
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 114778406
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylpyridazin-4-yl)methanone
CID 154744784
5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 138032645
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 129485933
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 128978788
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
CID 129484526

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone (CID 128978986) is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The canonical SMILES for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone is Cc1n[nH]nc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1.
What is the InChIKey of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The InChIKey is DOBAZHVFCSUTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-15(19-20-18-12)16(22)21-9-14(24-17(2,3)11-21)10-23-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone?
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 128978986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).