N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide

C17H26N4O4 — CID 166258930

IUPACN-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide
SMILESCN(CC1CCCOC1)C(=O)C(=O)N1CCOC(c2ccnn2C)C1
InChIInChI=1S/C17H26N4O4/c1-19(10-13-4-3-8-24-12-13)16(22)17(23)21-7-9-25-15(11-21)14-5-6-18-20(14)2/h5-6,13,15H,3-4,7-12H2,1-2H3
InChIKeyZLASHOBOEYUEIW-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.20
Rot. Bonds3

About N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide

N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide (PubChem CID 166258930) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide
PubChem CID166258930
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide
SMILESCN(CC1CCCOC1)C(=O)C(=O)N1CCOC(c2ccnn2C)C1
InChIInChI=1S/C17H26N4O4/c1-19(10-13-4-3-8-24-12-13)16(22)17(23)21-7-9-25-15(11-21)14-5-6-18-20(14)2/h5-6,13,15H,3-4,7-12H2,1-2H3
InChIKeyZLASHOBOEYUEIW-UHFFFAOYSA-N
XLogP0.20
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide?
The IUPAC name of N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide (CID 166258930) is N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide?
The canonical SMILES for N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide is CN(CC1CCCOC1)C(=O)C(=O)N1CCOC(c2ccnn2C)C1.
What is the InChIKey of N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide?
The InChIKey is ZLASHOBOEYUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-19(10-13-4-3-8-24-12-13)16(22)17(23)21-7-9-25-15(11-21)14-5-6-18-20(14)2/h5-6,13,15H,3-4,7-12H2,1-2H3.
What are the key properties of N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide?
N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylpyrazol-3-yl)morpholin-4-yl]-N-(oxan-3-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 166258930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).