N-phenyl-N-phenyldiazenylpent-4-enamide

C17H17N3O — CID 11623287

IUPACN-phenyl-N-phenyldiazenylpent-4-enamide
SMILESC=CCCC(=O)N(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-3-14-17(21)20(16-12-8-5-9-13-16)19-18-15-10-6-4-7-11-15/h2,4-13H,1,3,14H2/b19-18+
InChIKeyHTYWRQBCFJKCGT-VHEBQXMUSA-N
MW279.34 g/mol
LogP4.68
Rot. Bonds6

About N-phenyl-N-phenyldiazenylpent-4-enamide

N-phenyl-N-phenyldiazenylpent-4-enamide (PubChem CID 11623287) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-phenyl-N-phenyldiazenylpent-4-enamide.

Molecular Properties

Compound NameN-phenyl-N-phenyldiazenylpent-4-enamide
PubChem CID11623287
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-phenyl-N-phenyldiazenylpent-4-enamide
SMILESC=CCCC(=O)N(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-3-14-17(21)20(16-12-8-5-9-13-16)19-18-15-10-6-4-7-11-15/h2,4-13H,1,3,14H2/b19-18+
InChIKeyHTYWRQBCFJKCGT-VHEBQXMUSA-N
XLogP4.68
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-phenyldiazenylpent-4-enamide?
The IUPAC name of N-phenyl-N-phenyldiazenylpent-4-enamide (CID 11623287) is N-phenyl-N-phenyldiazenylpent-4-enamide.
What is the SMILES notation for N-phenyl-N-phenyldiazenylpent-4-enamide?
The canonical SMILES for N-phenyl-N-phenyldiazenylpent-4-enamide is C=CCCC(=O)N(/N=N/c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-phenyldiazenylpent-4-enamide?
The InChIKey is HTYWRQBCFJKCGT-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-3-14-17(21)20(16-12-8-5-9-13-16)19-18-15-10-6-4-7-11-15/h2,4-13H,1,3,14H2/b19-18+.
What are the key properties of N-phenyl-N-phenyldiazenylpent-4-enamide?
N-phenyl-N-phenyldiazenylpent-4-enamide has a molecular weight of 279.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-phenyldiazenylpent-4-enamide is sourced from PubChem (CID 11623287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).