3-(benzhydrylamino)-N'-hydroxybutanimidamide

C17H21N3O — CID 77028150

IUPAC3-(benzhydrylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(12-16(18)20-21)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17,19,21H,12H2,1H3,(H2,18,20)
InChIKeyXEXMWVKPYNHVHP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds6

About 3-(benzhydrylamino)-N'-hydroxybutanimidamide

3-(benzhydrylamino)-N'-hydroxybutanimidamide (PubChem CID 77028150) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(benzhydrylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(benzhydrylamino)-N'-hydroxybutanimidamide
PubChem CID77028150
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(benzhydrylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(12-16(18)20-21)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17,19,21H,12H2,1H3,(H2,18,20)
InChIKeyXEXMWVKPYNHVHP-UHFFFAOYSA-N
XLogP2.89
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
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-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
2-(benzhydrylamino)propan-1-ol
CID 43499566
N'-hydroxy-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanimidamide
CID 81355743
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
CID 77028724
N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
CID 77030452
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
N'-hydroxy-3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 55117637
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(benzhydrylamino)-N'-hydroxybutanimidamide (CID 77028150) is 3-(benzhydrylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(benzhydrylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(benzhydrylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylamino)-N'-hydroxybutanimidamide?
The InChIKey is XEXMWVKPYNHVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(12-16(18)20-21)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17,19,21H,12H2,1H3,(H2,18,20).
What are the key properties of 3-(benzhydrylamino)-N'-hydroxybutanimidamide?
3-(benzhydrylamino)-N'-hydroxybutanimidamide has a molecular weight of 283.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).