2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide

C16H25N2O2+ — CID 6988700

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
SMILESC[C@@H]1C[NH+](CC(=O)NCCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+
InChIKeyZRQVQXPNBKLCNG-OKILXGFUSA-O
MW277.39 g/mol
LogP0.04
Rot. Bonds5

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

2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 6988700) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID6988700
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
SMILESC[C@@H]1C[NH+](CC(=O)NCCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+
InChIKeyZRQVQXPNBKLCNG-OKILXGFUSA-O
XLogP0.04
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988702
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 8899985
N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
CID 7437027
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2576005
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-phenylethyl)acetamide
CID 9435923
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2123025
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
ethyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoate
CID 8899937

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide (CID 6988700) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide is C[C@@H]1C[NH+](CC(=O)NCCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZRQVQXPNBKLCNG-OKILXGFUSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 277.39 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6988700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).