N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide

C15H21N3O2 — CID 80719517

IUPACN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CC2CCC1O2)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-15(18-19)12(10-4-2-1-3-5-10)9-17-13-8-11-6-7-14(13)20-11/h1-5,11-14,17,19H,6-9H2,(H2,16,18)
InChIKeyHFANJSNWQCWUOQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.43
Rot. Bonds5

About N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide

N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide (PubChem CID 80719517) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
PubChem CID80719517
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CC2CCC1O2)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-15(18-19)12(10-4-2-1-3-5-10)9-17-13-8-11-6-7-14(13)20-11/h1-5,11-14,17,19H,6-9H2,(H2,16,18)
InChIKeyHFANJSNWQCWUOQ-UHFFFAOYSA-N
XLogP1.43
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.43
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'}

Analyze N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3,3,3-trifluoro-N'-hydroxy-2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]propanimidamide
CID 103370013
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
CID 80719367
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N-(3-phenylprop-2-ynyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80721448
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide (CID 80719517) is N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide is N/C(=N/O)C(CNC1CC2CCC1O2)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide?
The InChIKey is HFANJSNWQCWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(18-19)12(10-4-2-1-3-5-10)9-17-13-8-11-6-7-14(13)20-11/h1-5,11-14,17,19H,6-9H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide?
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide has a molecular weight of 275.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide is sourced from PubChem (CID 80719517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).