2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide

C11H23N3O3 — CID 47084530

IUPAC2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(/N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-9(5-2)13-11(15)8-17-14-10(12)6-7-16-3/h9H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyIKVZHSXWOQFZII-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.62
Rot. Bonds9

About 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide

2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide (PubChem CID 47084530) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide
PubChem CID47084530
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(/N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-9(5-2)13-11(15)8-17-14-10(12)6-7-16-3/h9H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyIKVZHSXWOQFZII-UHFFFAOYSA-N
XLogP0.62
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.62
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide (CID 47084530) is 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CO/N=C(/N)CCOC.
What is the InChIKey of 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide?
The InChIKey is IKVZHSXWOQFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-9(5-2)13-11(15)8-17-14-10(12)6-7-16-3/h9H,4-8H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide?
2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide has a molecular weight of 245.32 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 47084530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).