N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide

C26H38N4O2 — CID 155517993

IUPACN-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
SMILESON/C(=N\CCCCCCCCCCCC/N=C(\NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4O2/c31-29-25(23-17-11-9-12-18-23)27-21-15-7-5-3-1-2-4-6-8-16-22-28-26(30-32)24-19-13-10-14-20-24/h9-14,17-20,31-32H,1-8,15-16,21-22H2,(H,27,29)(H,28,30)
InChIKeyDETHYPCFGVXBDX-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.74
Rot. Bonds15

About N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide

N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide (PubChem CID 155517993) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
PubChem CID155517993
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
SMILESON/C(=N\CCCCCCCCCCCC/N=C(\NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4O2/c31-29-25(23-17-11-9-12-18-23)27-21-15-7-5-3-1-2-4-6-8-16-22-28-26(30-32)24-19-13-10-14-20-24/h9-14,17-20,31-32H,1-8,15-16,21-22H2,(H,27,29)(H,28,30)
InChIKeyDETHYPCFGVXBDX-UHFFFAOYSA-N
XLogP5.74
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.74
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'}

Analyze N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide 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

(E)-N-Benzyl-3-phenyl-acrylamidine
CID 9878031
N-Phenethyl-benzamidine
CID 12511926
Benzamidine, N-benzyl-, hydrochloride
CID 200368
N'-benzyl-3-phenylpropanimidamide
CID 44374420
1-N',14-N'-dibenzyltetradecanediimidamide;dihydrochloride
CID 45484684
N'-[12-[[amino-[4-(trifluoromethyl)phenyl]methylidene]amino]dodecyl]-4-(trifluoromethyl)benzenecarboximidamide;dihydrochloride
CID 52944106
N'-[12-[[amino-(4-methylphenyl)methylidene]amino]dodecyl]-4-methylbenzenecarboximidamide;dihydrochloride
CID 52944975
N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride
CID 90664798
N-benzylbenzamidine
CID 200369
Acetamidine, N-benzyl-2-phenyl-, hydrochloride
CID 206675
1-N',14-N'-dibenzyl-1-N,14-N-dihydroxytetradecanediimidamide
CID 45484722
n'-Benzyl-n-hydroxybenzenecarboximidamide
CID 271091

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide?
The IUPAC name of N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide (CID 155517993) is N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide?
The canonical SMILES for N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide is ON/C(=N\CCCCCCCCCCCC/N=C(\NO)c1ccccc1)c1ccccc1.
What is the InChIKey of N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide?
The InChIKey is DETHYPCFGVXBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-29-25(23-17-11-9-12-18-23)27-21-15-7-5-3-1-2-4-6-8-16-22-28-26(30-32)24-19-13-10-14-20-24/h9-14,17-20,31-32H,1-8,15-16,21-22H2,(H,27,29)(H,28,30).
What are the key properties of N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide?
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide has a molecular weight of 438.62 g/mol, XLogP of 5.74, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide is sourced from PubChem (CID 155517993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).