2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

C16H28N4O3 — CID 154739970

IUPAC2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2ccn(C)n2)CC(C)(C)O1
InChIInChI=1S/C16H28N4O3/c1-16(2)12-20(8-13-6-7-19(5)17-13)9-14(23-16)10-22-11-15(21)18(3)4/h6-7,14H,8-12H2,1-5H3
InChIKeyCSMRUAXXCFDQSF-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.50
Rot. Bonds6

About 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 154739970) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID154739970
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2ccn(C)n2)CC(C)(C)O1
InChIInChI=1S/C16H28N4O3/c1-16(2)12-20(8-13-6-7-19(5)17-13)9-14(23-16)10-22-11-15(21)18(3)4/h6-7,14H,8-12H2,1-5H3
InChIKeyCSMRUAXXCFDQSF-UHFFFAOYSA-N
XLogP0.50
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[(2S)-6,6-dimethyl-4-[(1-methylpyrrol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482410
2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482524
2-[[6,6-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976078
2-[[4-[(3,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975967
2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129350879
2-[[(2R)-4-(1H-imidazol-5-ylmethyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482312
2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129483580
2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 167981380
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholine
CID 114780605
2-[[6,6-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976013
2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482251
2-[[6,6-dimethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975963

Frequently Asked Questions

What is the IUPAC name of 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 154739970) is 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC1CN(Cc2ccn(C)n2)CC(C)(C)O1.
What is the InChIKey of 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is CSMRUAXXCFDQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2)12-20(8-13-6-7-19(5)17-13)9-14(23-16)10-22-11-15(21)18(3)4/h6-7,14H,8-12H2,1-5H3.
What are the key properties of 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 324.43 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 154739970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).