2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C18H28N3O3+ — CID 2125724

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-14-11-20(12-15(2)24-14)13-18(22)19-16-3-5-17(6-4-16)21-7-9-23-10-8-21/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)/p+1/t14-,15-/m1/s1
InChIKeyXTRCYIVYYGOCHL-HUUCEWRRSA-O
MW334.44 g/mol
LogP0.15
Rot. Bonds4

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2125724) has the molecular formula C18H28N3O3+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2125724
Molecular FormulaC18H28N3O3+
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-14-11-20(12-15(2)24-14)13-18(22)19-16-3-5-17(6-4-16)21-7-9-23-10-8-21/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)/p+1/t14-,15-/m1/s1
InChIKeyXTRCYIVYYGOCHL-HUUCEWRRSA-O
XLogP0.15
TPSA55.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8686861
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 2400582
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 8899985
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 7925830
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2125724) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide is C[C@@H]1C[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XTRCYIVYYGOCHL-HUUCEWRRSA-O. The full InChI is InChI=1S/C18H27N3O3/c1-14-11-20(12-15(2)24-14)13-18(22)19-16-3-5-17(6-4-16)21-7-9-23-10-8-21/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)/p+1/t14-,15-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2125724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).