2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide

C17H19N3O — CID 3097536

IUPAC2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)16(21)18-13-9-11-15(12-10-13)20-19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,21)/b20-19+
InChIKeyUAERVFGYVTYUNF-FMQUCBEESA-N
MW281.36 g/mol
LogP5.09
Rot. Bonds3

About 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide

2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide (PubChem CID 3097536) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide
PubChem CID3097536
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)16(21)18-13-9-11-15(12-10-13)20-19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,21)/b20-19+
InChIKeyUAERVFGYVTYUNF-FMQUCBEESA-N
XLogP5.09
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide (CID 3097536) is 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide is CC(C)(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide?
The InChIKey is UAERVFGYVTYUNF-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)16(21)18-13-9-11-15(12-10-13)20-19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,21)/b20-19+.
What are the key properties of 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide?
2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-phenyldiazenylphenyl)propanamide is sourced from PubChem (CID 3097536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).