N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine

C16H16N2O2 — CID 135482640

IUPACN-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
SMILESON=C(Cc1ccccc1)C(Cc1ccccc1)=NO
InChIInChI=1S/C16H16N2O2/c19-17-15(11-13-7-3-1-4-8-13)16(18-20)12-14-9-5-2-6-10-14/h1-10,19-20H,11-12H2
InChIKeyVQEMLGFYAITSCB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds5

About N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine

N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine (PubChem CID 135482640) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
PubChem CID135482640
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
SMILESON=C(Cc1ccccc1)C(Cc1ccccc1)=NO
InChIInChI=1S/C16H16N2O2/c19-17-15(11-13-7-3-1-4-8-13)16(18-20)12-14-9-5-2-6-10-14/h1-10,19-20H,11-12H2
InChIKeyVQEMLGFYAITSCB-UHFFFAOYSA-N
XLogP3.13
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine 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

N'-hydroxy-2-phenylethanimidamide
CID 6074309
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10917737
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
CID 58076264
(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
CID 58076259
(E)-1-phenylbut-2-en-2-ol
CID 170790149
(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
CID 92531582
(NZ)-N-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 6381176
(2Z)-3-(4-bromophenyl)-2-hydroxyiminopropanoic acid
CID 165486392
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine (CID 135482640) is N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine is ON=C(Cc1ccccc1)C(Cc1ccccc1)=NO.
What is the InChIKey of N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine?
The InChIKey is VQEMLGFYAITSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-17-15(11-13-7-3-1-4-8-13)16(18-20)12-14-9-5-2-6-10-14/h1-10,19-20H,11-12H2.
What are the key properties of N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine?
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine has a molecular weight of 268.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 135482640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).