4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide

C13H23N3O4 — CID 76921023

IUPAC4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
SMILESCC1(C)COCCN1C(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C13H23N3O4/c1-12(2)9-20-8-5-16(12)11(17)13(10(14)15-18)3-6-19-7-4-13/h18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyCEXLYUKBEOUTDJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.17
Rot. Bonds2

About 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide

4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide (PubChem CID 76921023) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide.

Molecular Properties

Compound Name4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
PubChem CID76921023
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
SMILESCC1(C)COCCN1C(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C13H23N3O4/c1-12(2)9-20-8-5-16(12)11(17)13(10(14)15-18)3-6-19-7-4-13/h18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyCEXLYUKBEOUTDJ-UHFFFAOYSA-N
XLogP0.17
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.17
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 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The IUPAC name of 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide (CID 76921023) is 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide.
What is the SMILES notation for 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The canonical SMILES for 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide is CC1(C)COCCN1C(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The InChIKey is CEXLYUKBEOUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-12(2)9-20-8-5-16(12)11(17)13(10(14)15-18)3-6-19-7-4-13/h18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide has a molecular weight of 285.34 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide is sourced from PubChem (CID 76921023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).