N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide

C15H23N3O2 — CID 77043794

IUPACN'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
SMILESCN(CC(C(N)=NO)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-7-9-20-10-8-13)11-14(15(16)17-19)12-5-3-2-4-6-12/h2-6,13-14,19H,7-11H2,1H3,(H2,16,17)
InChIKeyVSPPJUZFHCININ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide (PubChem CID 77043794) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
PubChem CID77043794
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
SMILESCN(CC(C(N)=NO)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-7-9-20-10-8-13)11-14(15(16)17-19)12-5-3-2-4-6-12/h2-6,13-14,19H,7-11H2,1H3,(H2,16,17)
InChIKeyVSPPJUZFHCININ-UHFFFAOYSA-N
XLogP1.63
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.63
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'}

Analyze N'-hydroxy-3-[methyl(oxan-4-yl)amino]-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

3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide (CID 77043794) is N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide is CN(CC(C(N)=NO)c1ccccc1)C1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The InChIKey is VSPPJUZFHCININ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(13-7-9-20-10-8-13)11-14(15(16)17-19)12-5-3-2-4-6-12/h2-6,13-14,19H,7-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).