N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide

C15H19N3O5 — CID 27661299

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O5/c1-10-8-17(9-11(2)23-10)14(19)7-16-15(20)12-4-3-5-13(6-12)18(21)22/h3-6,10-11H,7-9H2,1-2H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyGBHPUCXTEGCNLS-GHMZBOCLSA-N
MW321.33 g/mol
LogP0.96
Rot. Bonds4

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 27661299) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
PubChem CID27661299
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O5/c1-10-8-17(9-11(2)23-10)14(19)7-16-15(20)12-4-3-5-13(6-12)18(21)22/h3-6,10-11H,7-9H2,1-2H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyGBHPUCXTEGCNLS-GHMZBOCLSA-N
XLogP0.96
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
N-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51147697
N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-3-nitrobenzamide
CID 2250350
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-nitrophenyl)methanone
CID 102934573
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide
CID 46654836
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
CID 51942605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide (CID 27661299) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide is C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is GBHPUCXTEGCNLS-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10-8-17(9-11(2)23-10)14(19)7-16-15(20)12-4-3-5-13(6-12)18(21)22/h3-6,10-11H,7-9H2,1-2H3,(H,16,20)/t10-,11-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 321.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 27661299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).