3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide

C14H19N3O3 — CID 43593165

IUPAC3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)CCO1
InChIInChI=1S/C14H19N3O3/c1-14(2)9-17(6-7-20-14)13(18)11-5-3-4-10(8-11)12(15)16-19/h3-5,8,19H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyYCCVQOQUQPSYOG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.03
Rot. Bonds2

About 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide

3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43593165) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43593165
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)CCO1
InChIInChI=1S/C14H19N3O3/c1-14(2)9-17(6-7-20-14)13(18)11-5-3-4-10(8-11)12(15)16-19/h3-5,8,19H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyYCCVQOQUQPSYOG-UHFFFAOYSA-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

N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61294351
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 43593165) is 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide is CC1(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YCCVQOQUQPSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)9-17(6-7-20-14)13(18)11-5-3-4-10(8-11)12(15)16-19/h3-5,8,19H,6-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
3-(2,2-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-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43593165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).