N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C25H20N4O3 — CID 135643704

IUPACN-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C\c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C25H20N4O3/c30-24-13-11-22(28-27-21-8-2-1-3-9-21)14-20(24)16-26-29-25(31)17-32-23-12-10-18-6-4-5-7-19(18)15-23/h1-16,30H,17H2,(H,29,31)/b26-16-,28-27+
InChIKeyIOTIMBKTFWHDHI-CTBJQWLQSA-N
MW424.46 g/mol
LogP5.49
Rot. Bonds7

About N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 135643704) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID135643704
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C\c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C25H20N4O3/c30-24-13-11-22(28-27-21-8-2-1-3-9-21)14-20(24)16-26-29-25(31)17-32-23-12-10-18-6-4-5-7-19(18)15-23/h1-16,30H,17H2,(H,29,31)/b26-16-,28-27+
InChIKeyIOTIMBKTFWHDHI-CTBJQWLQSA-N
XLogP5.49
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.49
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 135643956
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
2-(3,4-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590115
N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135644246
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 2833137
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590240
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
N-[[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 3918115
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 135643704) is N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)N/N=C\c1cc(/N=N/c2ccccc2)ccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is IOTIMBKTFWHDHI-CTBJQWLQSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24-13-11-22(28-27-21-8-2-1-3-9-21)14-20(24)16-26-29-25(31)17-32-23-12-10-18-6-4-5-7-19(18)15-23/h1-16,30H,17H2,(H,29,31)/b26-16-,28-27+.
What are the key properties of N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 424.46 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 135643704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).