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

C17H30N4O3 — CID 129350852

IUPAC2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@H]1CN(CCc2ccnn2C)CC(C)(C)O1
InChIInChI=1S/C17H30N4O3/c1-17(2)13-21(9-7-14-6-8-18-20(14)5)10-15(24-17)11-23-12-16(22)19(3)4/h6,8,15H,7,9-13H2,1-5H3/t15-/m1/s1
InChIKeyLSVBBYAPYYFAJE-OAHLLOKOSA-N
MW338.45 g/mol
LogP0.55
Rot. Bonds7

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

2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 129350852) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID129350852
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@H]1CN(CCc2ccnn2C)CC(C)(C)O1
InChIInChI=1S/C17H30N4O3/c1-17(2)13-21(9-7-14-6-8-18-20(14)5)10-15(24-17)11-23-12-16(22)19(3)4/h6,8,15H,7,9-13H2,1-5H3/t15-/m1/s1
InChIKeyLSVBBYAPYYFAJE-OAHLLOKOSA-N
XLogP0.55
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 129350852) is 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@H]1CN(CCc2ccnn2C)CC(C)(C)O1.
What is the InChIKey of 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is LSVBBYAPYYFAJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-17(2)13-21(9-7-14-6-8-18-20(14)5)10-15(24-17)11-23-12-16(22)19(3)4/h6,8,15H,7,9-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 338.45 g/mol, XLogP of 0.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-6,6-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129350852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).