3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide

C14H23N3O — CID 64538076

IUPAC3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESCCN(CC(/C(N)=N/O)c1ccccc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-17(11(2)3)10-13(14(15)16-18)12-8-6-5-7-9-12/h5-9,11,13,18H,4,10H2,1-3H3,(H2,15,16)
InChIKeyGXYQWKCYALLUIK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds6

About 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide

3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 64538076) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID64538076
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESCCN(CC(/C(N)=N/O)c1ccccc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-17(11(2)3)10-13(14(15)16-18)12-8-6-5-7-9-12/h5-9,11,13,18H,4,10H2,1-3H3,(H2,15,16)
InChIKeyGXYQWKCYALLUIK-UHFFFAOYSA-N
XLogP2.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
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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Related Compounds

N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
CID 81055319
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
CID 76915509
N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
CID 77043592

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide (CID 64538076) is 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide is CCN(CC(/C(N)=N/O)c1ccccc1)C(C)C.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is GXYQWKCYALLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(11(2)3)10-13(14(15)16-18)12-8-6-5-7-9-12/h5-9,11,13,18H,4,10H2,1-3H3,(H2,15,16).
What are the key properties of 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide?
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 64538076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).