2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide

C14H21N3O3 — CID 81302590

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H21N3O3/c1-9-7-17(8-10(2)20-9)13-6-11(19-3)4-5-12(13)14(15)16-18/h4-6,9-10,18H,7-8H2,1-3H3,(H2,15,16)
InChIKeyPHWGBHCZCILPAX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.40
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide

2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81302590) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81302590
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H21N3O3/c1-9-7-17(8-10(2)20-9)13-6-11(19-3)4-5-12(13)14(15)16-18/h4-6,9-10,18H,7-8H2,1-3H3,(H2,15,16)
InChIKeyPHWGBHCZCILPAX-UHFFFAOYSA-N
XLogP1.40
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81302590) is 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is PHWGBHCZCILPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-17(8-10(2)20-9)13-6-11(19-3)4-5-12(13)14(15)16-18/h4-6,9-10,18H,7-8H2,1-3H3,(H2,15,16).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 279.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).