2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide

C13H25N3O3 — CID 76920708

IUPAC2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC1COCCN1C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-10-9-19-8-7-16(10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyPWIVXPHUBJWBKY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.18
Rot. Bonds5

About 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide

2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 76920708) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide
PubChem CID76920708
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC1COCCN1C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-10-9-19-8-7-16(10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyPWIVXPHUBJWBKY-UHFFFAOYSA-N
XLogP1.18
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.18
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-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide (CID 76920708) is 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide is CCC1COCCN1C(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is PWIVXPHUBJWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-10-9-19-8-7-16(10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide?
2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 271.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76920708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).