N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide

C12H19N3O2 — CID 24710523

IUPACN'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H19N3O2/c1-17-10-9-15(8-7-12(13)14-16)11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H2,13,14)
InChIKeyDPMWVSFLBAFNOR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds7

About N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide

N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide (PubChem CID 24710523) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
PubChem CID24710523
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H19N3O2/c1-17-10-9-15(8-7-12(13)14-16)11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H2,13,14)
InChIKeyDPMWVSFLBAFNOR-UHFFFAOYSA-N
XLogP1.28
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
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 N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide (CID 24710523) is N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide is COCCN(CC/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide?
The InChIKey is DPMWVSFLBAFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-10-9-15(8-7-12(13)14-16)11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide?
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide has a molecular weight of 237.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide is sourced from PubChem (CID 24710523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).