2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide

C17H17N3O — CID 175260592

IUPAC2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
SMILESCC=C(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-3-13(2)17(21)18-14-9-11-16(12-10-14)20-19-15-7-5-4-6-8-15/h3-12H,1-2H3,(H,18,21)/b13-3?,20-19+
InChIKeyHMXROOBIQCKZPI-MTBBSFHQSA-N
MW279.34 g/mol
LogP5.01
Rot. Bonds4

About 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide

2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide (PubChem CID 175260592) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
PubChem CID175260592
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
SMILESCC=C(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-3-13(2)17(21)18-14-9-11-16(12-10-14)20-19-15-7-5-4-6-8-15/h3-12H,1-2H3,(H,18,21)/b13-3?,20-19+
InChIKeyHMXROOBIQCKZPI-MTBBSFHQSA-N
XLogP5.01
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
(E)-1-phenyl-3-(4-phenyldiazenylanilino)but-2-en-1-one
CID 39428563
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide
CID 42962660
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380
(Z)-3-methyl-4-oxo-4-(4-phenylanilino)but-2-enoic acid
CID 19133057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide?
The IUPAC name of 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide (CID 175260592) is 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide?
The canonical SMILES for 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide is CC=C(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide?
The InChIKey is HMXROOBIQCKZPI-MTBBSFHQSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-13(2)17(21)18-14-9-11-16(12-10-14)20-19-15-7-5-4-6-8-15/h3-12H,1-2H3,(H,18,21)/b13-3?,20-19+.
What are the key properties of 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide?
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide is sourced from PubChem (CID 175260592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).