N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

C28H26N4O3 — CID 135644246

IUPACN-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1
InChIInChI=1S/C28H26N4O3/c1-19(2)20-10-13-24(14-11-20)35-18-28(34)32-29-17-22-16-23(12-15-27(22)33)30-31-26-9-5-7-21-6-3-4-8-25(21)26/h3-17,19,33H,18H2,1-2H3,(H,32,34)/b29-17+,31-30+
InChIKeyCQSVTVKJNPDRRD-HCHSGZHCSA-N
MW466.54 g/mol
LogP6.61
Rot. Bonds8

About N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 135644246) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID135644246
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1
InChIInChI=1S/C28H26N4O3/c1-19(2)20-10-13-24(14-11-20)35-18-28(34)32-29-17-22-16-23(12-15-27(22)33)30-31-26-9-5-7-21-6-3-4-8-25(21)26/h3-17,19,33H,18H2,1-2H3,(H,32,34)/b29-17+,31-30+
InChIKeyCQSVTVKJNPDRRD-HCHSGZHCSA-N
XLogP6.61
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.61
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

N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135643704
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590240
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 135643956
2-(3,4-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590115
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
CID 135464584
N-[[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 3918115
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 135444081
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 136765232
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (CID 135644246) is N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1.
What is the InChIKey of N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CQSVTVKJNPDRRD-HCHSGZHCSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19(2)20-10-13-24(14-11-20)35-18-28(34)32-29-17-22-16-23(12-15-27(22)33)30-31-26-9-5-7-21-6-3-4-8-25(21)26/h3-17,19,33H,18H2,1-2H3,(H,32,34)/b29-17+,31-30+.
What are the key properties of N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 466.54 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135644246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).