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

C16H23N3O3 — CID 163835655

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccncc1C
InChIInChI=1S/C16H23N3O3/c1-5-19-10-16(3,4)22-15(21)13(19)8-14(20)18-12-6-7-17-9-11(12)2/h6-7,9,13H,5,8,10H2,1-4H3,(H,17,18,20)
InChIKeyOHMZKGWJAHTJOM-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.74
Rot. Bonds4

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

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide (PubChem CID 163835655) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
PubChem CID163835655
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccncc1C
InChIInChI=1S/C16H23N3O3/c1-5-19-10-16(3,4)22-15(21)13(19)8-14(20)18-12-6-7-17-9-11(12)2/h6-7,9,13H,5,8,10H2,1-4H3,(H,17,18,20)
InChIKeyOHMZKGWJAHTJOM-UHFFFAOYSA-N
XLogP1.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Fluoroanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
CID 4749341
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(pyridin-3-yl)acetamide
CID 53244783
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(pyridin-4-yl)acetamide
CID 53244844
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(pyridin-2-yl)acetamide
CID 53244848
3-[N-(2-methylphenyl)carbamoyl]-2-[(3-pyridylmethyl)amino]propanoic acid
CID 4749343
3-[N-(4-ethylphenyl)carbamoyl]-2-[(3-pyridylmethyl)amino]propanoic acid
CID 4749344
methyl 4-(N-propanoylanilino)-1-(2-pyridin-3-ylethyl)piperidine-4-carboxylate
CID 14879895
methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 14879897
3-{N-[4-(dimethylamino)phenyl]carbamoyl}-2-[(3-pyridylmethyl)amino]propanoic a cid
CID 15991253
4-Oxo-4-(phenylamino)-2-((pyridin-3-ylmethyl)amino)butanoic acid
CID 3698276
2-((3-Morpholinopropyl)amino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
CID 18581142
4-((2-Fluorophenyl)amino)-4-oxo-2-((pyridin-3-ylmethyl)amino)butanoic acid
CID 16823547

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide (CID 163835655) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccncc1C.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide?
The InChIKey is OHMZKGWJAHTJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-19-10-16(3,4)22-15(21)13(19)8-14(20)18-12-6-7-17-9-11(12)2/h6-7,9,13H,5,8,10H2,1-4H3,(H,17,18,20).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 163835655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).