N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide

C24H22N4O2 — CID 633952

IUPACN-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C=Cc1ccccc1/N=N/c1ccccc1NC(C)=O
InChIInChI=1S/C24H22N4O2/c1-17(29)25-21-11-5-3-9-19(21)15-16-20-10-4-6-12-22(20)27-28-24-14-8-7-13-23(24)26-18(2)30/h3-16H,1-2H3,(H,25,29)(H,26,30)/b16-15?,28-27+
InChIKeyQCEWUEDLTKBJCI-IQJFVVIMSA-N
MW398.47 g/mol
LogP6.19
Rot. Bonds6

About N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide

N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide (PubChem CID 633952) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
PubChem CID633952
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C=Cc1ccccc1/N=N/c1ccccc1NC(C)=O
InChIInChI=1S/C24H22N4O2/c1-17(29)25-21-11-5-3-9-19(21)15-16-20-10-4-6-12-22(20)27-28-24-14-8-7-13-23(24)26-18(2)30/h3-16H,1-2H3,(H,25,29)(H,26,30)/b16-15?,28-27+
InChIKeyQCEWUEDLTKBJCI-IQJFVVIMSA-N
XLogP6.19
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide (CID 633952) is N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide is CC(=O)Nc1ccccc1C=Cc1ccccc1/N=N/c1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide?
The InChIKey is QCEWUEDLTKBJCI-IQJFVVIMSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(29)25-21-11-5-3-9-19(21)15-16-20-10-4-6-12-22(20)27-28-24-14-8-7-13-23(24)26-18(2)30/h3-16H,1-2H3,(H,25,29)(H,26,30)/b16-15?,28-27+.
What are the key properties of N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide?
N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 633952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).