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

C20H25N2O3+ — CID 8899985

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/p+1/t15-,16-/m0/s1
InChIKeyDXCPNWGAEFOGFG-HOTGVXAUSA-O
MW341.43 g/mol
LogP2.11
Rot. Bonds5

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

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 8899985) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID8899985
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/p+1/t15-,16-/m0/s1
InChIKeyDXCPNWGAEFOGFG-HOTGVXAUSA-O
XLogP2.11
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
CID 2608440
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125724
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8686861
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7345527
2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988700
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
ethyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoate
CID 8899937
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide (CID 8899985) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide is C[C@H]1C[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is DXCPNWGAEFOGFG-HOTGVXAUSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/p+1/t15-,16-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 8899985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).