2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide

C12H21N3O2 — CID 78946382

IUPAC2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-4-12(2,3)14-11(16)9-15-5-6-17-10(7-13)8-15/h10H,4-6,8-9H2,1-3H3,(H,14,16)
InChIKeyKESQOFVLSRJPJF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.52
Rot. Bonds4

About 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide

2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 78946382) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID78946382
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-4-12(2,3)14-11(16)9-15-5-6-17-10(7-13)8-15/h10H,4-6,8-9H2,1-3H3,(H,14,16)
InChIKeyKESQOFVLSRJPJF-UHFFFAOYSA-N
XLogP0.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 114398610
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102938967
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345333

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide (CID 78946382) is 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCOC(C#N)C1.
What is the InChIKey of 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is KESQOFVLSRJPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(2,3)14-11(16)9-15-5-6-17-10(7-13)8-15/h10H,4-6,8-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78946382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).