N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C15H20N3O2+ — CID 8899697

IUPACN-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1
InChIKeyPHTSGKODSARIJU-VXGBXAGGSA-O
MW274.34 g/mol
LogP0.19
Rot. Bonds3

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

N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 8899697) has the molecular formula C15H20N3O2+ and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID8899697
Molecular FormulaC15H20N3O2+
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1
InChIKeyPHTSGKODSARIJU-VXGBXAGGSA-O
XLogP0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940580
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
N-(3-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688681
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899296
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 7810899
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001916
cis-[2-(3-cyanoanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020628
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 8899697) is N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is PHTSGKODSARIJU-VXGBXAGGSA-O. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 274.34 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 8899697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).