3-methyl-N-(4-phenyldiazenylphenyl)butanamide

C17H19N3O — CID 4650351

IUPAC3-methyl-N-(4-phenyldiazenylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)12-17(21)18-14-8-10-16(11-9-14)20-19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,21)/b20-19+
InChIKeyWUKKVSGAXJMUQQ-FMQUCBEESA-N
MW281.36 g/mol
LogP5.09
Rot. Bonds5

About 3-methyl-N-(4-phenyldiazenylphenyl)butanamide

3-methyl-N-(4-phenyldiazenylphenyl)butanamide (PubChem CID 4650351) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyldiazenylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenyldiazenylphenyl)butanamide
PubChem CID4650351
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-methyl-N-(4-phenyldiazenylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)12-17(21)18-14-8-10-16(11-9-14)20-19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,21)/b20-19+
InChIKeyWUKKVSGAXJMUQQ-FMQUCBEESA-N
XLogP5.09
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.09
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'}

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Related Compounds

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenyldiazenylphenyl)acetamide
CID 8907332
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
(2S)-2-(3-hydroxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 7591444
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
(2R)-2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 7422087
2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 18581017
N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide
CID 42962660
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenyldiazenylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(4-phenyldiazenylphenyl)butanamide (CID 4650351) is 3-methyl-N-(4-phenyldiazenylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-phenyldiazenylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-phenyldiazenylphenyl)butanamide is CC(C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-(4-phenyldiazenylphenyl)butanamide?
The InChIKey is WUKKVSGAXJMUQQ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(2)12-17(21)18-14-8-10-16(11-9-14)20-19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,21)/b20-19+.
What are the key properties of 3-methyl-N-(4-phenyldiazenylphenyl)butanamide?
3-methyl-N-(4-phenyldiazenylphenyl)butanamide has a molecular weight of 281.36 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenyldiazenylphenyl)butanamide is sourced from PubChem (CID 4650351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).