2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide

C13H25N3O3 — CID 76924673

IUPAC2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
SMILESCCC1COC(C)CN1C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C13H25N3O3/c1-5-10-7-19-9(4)6-16(10)13(17)11(8(2)3)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15)
InChIKeySJLLNJDLQABXQN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.03
Rot. Bonds4

About 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide

2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 76924673) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
PubChem CID76924673
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
SMILESCCC1COC(C)CN1C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C13H25N3O3/c1-5-10-7-19-9(4)6-16(10)13(17)11(8(2)3)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15)
InChIKeySJLLNJDLQABXQN-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide (CID 76924673) is 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide is CCC1COC(C)CN1C(=O)C(C(N)=NO)C(C)C.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is SJLLNJDLQABXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-10-7-19-9(4)6-16(10)13(17)11(8(2)3)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15).
What are the key properties of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 271.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 76924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).