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

C17H21N3O — CID 43185342

IUPACN'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
SMILESN/C(CCN(CCc1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H21N3O/c18-17(19-21)12-14-20(16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,21H,11-14H2,(H2,18,19)
InChIKeyVOVXCNKGXOEIFF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds7

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

N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide (PubChem CID 43185342) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
PubChem CID43185342
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
SMILESN/C(CCN(CCc1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H21N3O/c18-17(19-21)12-14-20(16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,21H,11-14H2,(H2,18,19)
InChIKeyVOVXCNKGXOEIFF-UHFFFAOYSA-N
XLogP2.87
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenylethyl)anilino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide (CID 43185342) is N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide is N/C(CCN(CCc1ccccc1)c1ccccc1)=N\O.
What is the InChIKey of N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide?
The InChIKey is VOVXCNKGXOEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-17(19-21)12-14-20(16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,21H,11-14H2,(H2,18,19).
What are the key properties of N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide?
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide has a molecular weight of 283.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide is sourced from PubChem (CID 43185342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).