(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide

C24H21N3O3 — CID 135429771

IUPAC(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
SMILESCc1ccc(NC(=O)C(=O)C(/N=N/c2ccccc2)=C(/O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-8-12-18(13-9-16)22(28)21(27-26-20-6-4-3-5-7-20)23(29)24(30)25-19-14-10-17(2)11-15-19/h3-15,28H,1-2H3,(H,25,30)/b22-21-,27-26+
InChIKeyCPQFKDAZUWJVFU-GXKWVCNDSA-N
MW399.45 g/mol
LogP5.52
Rot. Bonds6

About (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide

(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide (PubChem CID 135429771) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
PubChem CID135429771
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
SMILESCc1ccc(NC(=O)C(=O)C(/N=N/c2ccccc2)=C(/O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-8-12-18(13-9-16)22(28)21(27-26-20-6-4-3-5-7-20)23(29)24(30)25-19-14-10-17(2)11-15-19/h3-15,28H,1-2H3,(H,25,30)/b22-21-,27-26+
InChIKeyCPQFKDAZUWJVFU-GXKWVCNDSA-N
XLogP5.52
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
CID 157218994
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
(2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126382184
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide
CID 135413470
[4-(benzoyldiazenyl)anilino] 4-methylbenzoate
CID 5120906
(2Z,3Z)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]-N-phenylpropanamide
CID 40513021
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide?
The IUPAC name of (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide (CID 135429771) is (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide.
What is the SMILES notation for (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide?
The canonical SMILES for (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide is Cc1ccc(NC(=O)C(=O)C(/N=N/c2ccccc2)=C(/O)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide?
The InChIKey is CPQFKDAZUWJVFU-GXKWVCNDSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-8-12-18(13-9-16)22(28)21(27-26-20-6-4-3-5-7-20)23(29)24(30)25-19-14-10-17(2)11-15-19/h3-15,28H,1-2H3,(H,25,30)/b22-21-,27-26+.
What are the key properties of (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide?
(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide has a molecular weight of 399.45 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide is sourced from PubChem (CID 135429771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).