N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide

C12H19N3O3 — CID 102743802

IUPACN-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(C(=O)C(=O)NCC#N)CC(C)(C)O1
InChIInChI=1S/C12H19N3O3/c1-11(2)7-15(8-12(3,4)18-11)10(17)9(16)14-6-5-13/h6-8H2,1-4H3,(H,14,16)
InChIKeyYLLZBTSRVNPCAA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.04
Rot. Bonds1

About N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide

N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide (PubChem CID 102743802) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
PubChem CID102743802
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(C(=O)C(=O)NCC#N)CC(C)(C)O1
InChIInChI=1S/C12H19N3O3/c1-11(2)7-15(8-12(3,4)18-11)10(17)9(16)14-6-5-13/h6-8H2,1-4H3,(H,14,16)
InChIKeyYLLZBTSRVNPCAA-UHFFFAOYSA-N
XLogP0.04
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 114776829
N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 62943423
2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102737661
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbonitrile
CID 102738630
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 102737709
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
2-(tert-butylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102737650
2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743777
N-(cyanomethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43315831

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide (CID 102743802) is N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide is CC1(C)CN(C(=O)C(=O)NCC#N)CC(C)(C)O1.
What is the InChIKey of N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide?
The InChIKey is YLLZBTSRVNPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-11(2)7-15(8-12(3,4)18-11)10(17)9(16)14-6-5-13/h6-8H2,1-4H3,(H,14,16).
What are the key properties of N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide?
N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 102743802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).