3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide

C25H19N3O — CID 5177921

IUPAC3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C25H19N3O/c29-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)28-27-22-10-2-1-3-11-22/h1-18H,(H,26,29)/b18-13?,28-27+
InChIKeyXJRZAIWLYWDXCZ-ZBIDXNHKSA-N
MW377.45 g/mol
LogP6.91
Rot. Bonds5

About 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide

3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide (PubChem CID 5177921) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
PubChem CID5177921
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C25H19N3O/c29-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)28-27-22-10-2-1-3-11-22/h1-18H,(H,26,29)/b18-13?,28-27+
InChIKeyXJRZAIWLYWDXCZ-ZBIDXNHKSA-N
XLogP6.91
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 56.91
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

(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
3-naphthalen-1-yl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 71890191
(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 142931080
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The IUPAC name of 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide (CID 5177921) is 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide is O=C(C=Cc1cccc2ccccc12)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The InChIKey is XJRZAIWLYWDXCZ-ZBIDXNHKSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)28-27-22-10-2-1-3-11-22/h1-18H,(H,26,29)/b18-13?,28-27+.
What are the key properties of 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide?
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide has a molecular weight of 377.45 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide is sourced from PubChem (CID 5177921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).