N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide

C15H25N3O2 — CID 81055319

IUPACN'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
SMILESCC(C)OCCN(C)CC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-10-9-18(3)11-14(15(16)17-19)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3,(H2,16,17)
InChIKeyHJIFGVGGGAMFIJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds8

About N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide (PubChem CID 81055319) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
PubChem CID81055319
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
SMILESCC(C)OCCN(C)CC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-10-9-18(3)11-14(15(16)17-19)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3,(H2,16,17)
InChIKeyHJIFGVGGGAMFIJ-UHFFFAOYSA-N
XLogP1.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
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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Related Compounds

N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
CID 77043592
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
CID 81074892
1-N-methyl-4-phenyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 114929811
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide (CID 81055319) is N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide is CC(C)OCCN(C)CC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide?
The InChIKey is HJIFGVGGGAMFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)20-10-9-18(3)11-14(15(16)17-19)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 81055319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).