N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

C25H26N6O2 — CID 135853840

IUPACN-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(/N=N/c1ccccc1)c1ccccc1O
InChIInChI=1S/C25H26N6O2/c32-23-14-8-7-13-22(23)25(28-26-20-9-3-1-4-10-20)29-27-24(33)19-30-15-17-31(18-16-30)21-11-5-2-6-12-21/h1-14,32H,15-19H2,(H,27,33)/b28-26+,29-25+
InChIKeyXVLNQEBXGXEOPJ-GMCXODDWSA-N
MW442.52 g/mol
LogP3.78
Rot. Bonds6

About N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135853840) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID135853840
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(/N=N/c1ccccc1)c1ccccc1O
InChIInChI=1S/C25H26N6O2/c32-23-14-8-7-13-22(23)25(28-26-20-9-3-1-4-10-20)29-27-24(33)19-30-15-17-31(18-16-30)21-11-5-2-6-12-21/h1-14,32H,15-19H2,(H,27,33)/b28-26+,29-25+
InChIKeyXVLNQEBXGXEOPJ-GMCXODDWSA-N
XLogP3.78
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135501892
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 164617873
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
4-Phenyl-1-piperazineacetic acid (((4-methoxyphenyl)azo)phenylmethylene)hydrazide
CID 135599779
1-Piperazineacetic acid, 4-phenyl-, (((2-chloro-4-nitrophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599781
4-Phenyl-1-piperazineacetic acid (((2-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599782
4-Phenyl-1-piperazineacetic acid (((3-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599783

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135853840) is N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)N/N=C(/N=N/c1ccccc1)c1ccccc1O.
What is the InChIKey of N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is XVLNQEBXGXEOPJ-GMCXODDWSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-23-14-8-7-13-22(23)25(28-26-20-9-3-1-4-10-20)29-27-24(33)19-30-15-17-31(18-16-30)21-11-5-2-6-12-21/h1-14,32H,15-19H2,(H,27,33)/b28-26+,29-25+.
What are the key properties of N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135853840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).