N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide

C17H20N4O2 — CID 15406489

IUPACN-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
SMILESON/C(=N\CCC/N=C(\NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c22-20-16(14-8-3-1-4-9-14)18-12-7-13-19-17(21-23)15-10-5-2-6-11-15/h1-6,8-11,22-23H,7,12-13H2,(H,18,20)(H,19,21)
InChIKeyZJTGTNKVKDLBSA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.23
Rot. Bonds6

About N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide

N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide (PubChem CID 15406489) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
PubChem CID15406489
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
SMILESON/C(=N\CCC/N=C(\NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c22-20-16(14-8-3-1-4-9-14)18-12-7-13-19-17(21-23)15-10-5-2-6-11-15/h1-6,8-11,22-23H,7,12-13H2,(H,18,20)(H,19,21)
InChIKeyZJTGTNKVKDLBSA-UHFFFAOYSA-N
XLogP2.23
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N'-(cyanomethyl)-N-hydroxybenzenecarboximidamide
CID 130740122
N-[N-[3-[[(2,2-dimethylpropanoylamino)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-2,2-dimethylpropanamide
CID 53483743
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide
CID 3425755
N'-[2-[bis[2-[[anilino(phenyl)methylidene]amino]ethyl]amino]ethyl]-N-phenylbenzenecarboximidamide
CID 102109940
4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide
CID 123383430
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
CID 54606152
N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide
CID 13074508
bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
CID 11433968

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide?
The IUPAC name of N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide (CID 15406489) is N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide?
The canonical SMILES for N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide is ON/C(=N\CCC/N=C(\NO)c1ccccc1)c1ccccc1.
What is the InChIKey of N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide?
The InChIKey is ZJTGTNKVKDLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-20-16(14-8-3-1-4-9-14)18-12-7-13-19-17(21-23)15-10-5-2-6-11-15/h1-6,8-11,22-23H,7,12-13H2,(H,18,20)(H,19,21).
What are the key properties of N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide?
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide has a molecular weight of 312.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide is sourced from PubChem (CID 15406489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).