N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C25H26N4O4 — CID 135884097

IUPACN-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(/N=N/c2ccc(C)c(C)c2)ccc1O
InChIInChI=1S/C25H26N4O4/c1-4-32-23-7-5-6-8-24(23)33-16-25(31)29-26-15-19-14-21(11-12-22(19)30)28-27-20-10-9-17(2)18(3)13-20/h5-15,30H,4,16H2,1-3H3,(H,29,31)/b26-15-,28-27+
InChIKeyVHFSJJXTFHOETC-BBTJEBRRSA-N
MW446.51 g/mol
LogP5.35
Rot. Bonds9

About N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 135884097) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID135884097
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(/N=N/c2ccc(C)c(C)c2)ccc1O
InChIInChI=1S/C25H26N4O4/c1-4-32-23-7-5-6-8-24(23)33-16-25(31)29-26-15-19-14-21(11-12-22(19)30)28-27-20-10-9-17(2)18(3)13-20/h5-15,30H,4,16H2,1-3H3,(H,29,31)/b26-15-,28-27+
InChIKeyVHFSJJXTFHOETC-BBTJEBRRSA-N
XLogP5.35
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,3-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590284
2-(3,4-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590115
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 2833137
N-[(E)-[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135590282
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946
N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 135643956

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 135884097) is N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N/N=C\c1cc(/N=N/c2ccc(C)c(C)c2)ccc1O.
What is the InChIKey of N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is VHFSJJXTFHOETC-BBTJEBRRSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-32-23-7-5-6-8-24(23)33-16-25(31)29-26-15-19-14-21(11-12-22(19)30)28-27-20-10-9-17(2)18(3)13-20/h5-15,30H,4,16H2,1-3H3,(H,29,31)/b26-15-,28-27+.
What are the key properties of N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 446.51 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 135884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).