3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide

C16H25N2O3+ — CID 6937956

IUPAC3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t12-,13-/m0/s1
InChIKeyUVYFQGQNJRHMMV-STQMWFEESA-O
MW293.39 g/mol
LogP0.72
Rot. Bonds5

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

3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 6937956) has the molecular formula C16H25N2O3+ and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID6937956
Molecular FormulaC16H25N2O3+
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t12-,13-/m0/s1
InChIKeyUVYFQGQNJRHMMV-STQMWFEESA-O
XLogP0.72
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
CID 6941474
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120
ethyl 4-[3-(2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 3822869
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7334329
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9410455

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide (CID 6937956) is 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is UVYFQGQNJRHMMV-STQMWFEESA-O. The full InChI is InChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t12-,13-/m0/s1.
What are the key properties of 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide?
3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 6937956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).