3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide

C14H19N3O3 — CID 104959807

IUPAC3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H]1CN(C(=O)c2cccc(/C(N)=N/O)c2)C[C@H](C)O1
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)20-9)14(18)12-5-3-4-11(6-12)13(15)16-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,15,16)/t9-,10+
InChIKeyFLQYKEQHEPXAHE-AOOOYVTPSA-N
MW277.32 g/mol
LogP1.03
Rot. Bonds2

About 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide

3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 104959807) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
PubChem CID104959807
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H]1CN(C(=O)c2cccc(/C(N)=N/O)c2)C[C@H](C)O1
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)20-9)14(18)12-5-3-4-11(6-12)13(15)16-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,15,16)/t9-,10+
InChIKeyFLQYKEQHEPXAHE-AOOOYVTPSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]benzenecarboximidamide
CID 81198524
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide (CID 104959807) is 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide is C[C@@H]1CN(C(=O)c2cccc(/C(N)=N/O)c2)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FLQYKEQHEPXAHE-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)20-9)14(18)12-5-3-4-11(6-12)13(15)16-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,15,16)/t9-,10+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide?
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104959807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).