2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide

C14H22N4O3 — CID 53244911

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccnn1C
InChIInChI=1S/C14H22N4O3/c1-5-18-9-14(2,3)21-13(20)10(18)8-12(19)16-11-6-7-15-17(11)4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyKDCKACHGEHSVLV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 53244911) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID53244911
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccnn1C
InChIInChI=1S/C14H22N4O3/c1-5-18-9-14(2,3)21-13(20)10(18)8-12(19)16-11-6-7-15-17(11)4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyKDCKACHGEHSVLV-UHFFFAOYSA-N
XLogP0.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylate hydrochloride
CID 165986480
2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 139018142
2-(2,6-dimethylmorpholin-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913380
Methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
CID 45186291
Methyl (5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 135648968
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 53244913
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[[N-[(2-methylpropan-2-yl)oxycarbonyl]-C-pyrazol-1-ylcarbonimidoyl]amino]-4-oxobutanoate
CID 57135409
tert-butyl (2S)-4-[[amino(pyrazol-1-yl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57143438
2-(4-methyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 91169022
Tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoate
CID 118061279

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide (CID 53244911) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccnn1C.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is KDCKACHGEHSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-18-9-14(2,3)21-13(20)10(18)8-12(19)16-11-6-7-15-17(11)4/h6-7,10H,5,8-9H2,1-4H3,(H,16,19).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 53244911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).