2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide

C20H25N2O3+ — CID 2608440

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-7-6-10-19(11-17)25-18-8-4-3-5-9-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/p+1/t15-,16-/m0/s1
InChIKeyKQDGJDOVLOTVQT-HOTGVXAUSA-O
MW341.43 g/mol
LogP2.11
Rot. Bonds5

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide (PubChem CID 2608440) 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-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
PubChem CID2608440
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-7-6-10-19(11-17)25-18-8-4-3-5-9-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/p+1/t15-,16-/m0/s1
InChIKeyKQDGJDOVLOTVQT-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-(4-phenoxyphenyl)acetamide
CID 8899985
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-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899296
methyl 2-[[2-(2,6-dimethylmorpholin-4-ium-4-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 3263627
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide (CID 2608440) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide is C[C@H]1C[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide?
The InChIKey is KQDGJDOVLOTVQT-HOTGVXAUSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-15-12-22(13-16(2)24-15)14-20(23)21-17-7-6-10-19(11-17)25-18-8-4-3-5-9-18/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-(3-phenoxyphenyl)acetamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-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-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 2608440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).