N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide

C13H19N3O2 — CID 80713268

IUPACN'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CCOC1)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-13(16-17)12(10-4-2-1-3-5-10)8-15-11-6-7-18-9-11/h1-5,11-12,15,17H,6-9H2,(H2,14,16)
InChIKeyOKYUMFMAYMQCMS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds5

About N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide

N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide (PubChem CID 80713268) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
PubChem CID80713268
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CCOC1)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-13(16-17)12(10-4-2-1-3-5-10)8-15-11-6-7-18-9-11/h1-5,11-12,15,17H,6-9H2,(H2,14,16)
InChIKeyOKYUMFMAYMQCMS-UHFFFAOYSA-N
XLogP0.90
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
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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Related Compounds

N-(2,2-diphenylethyl)oxolan-3-amine
CID 103748167
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
CID 80719517
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
CID 106299263
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide (CID 80713268) is N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide is N/C(=N/O)C(CNC1CCOC1)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide?
The InChIKey is OKYUMFMAYMQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(16-17)12(10-4-2-1-3-5-10)8-15-11-6-7-18-9-11/h1-5,11-12,15,17H,6-9H2,(H2,14,16).
What are the key properties of N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide?
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide has a molecular weight of 249.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide is sourced from PubChem (CID 80713268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).