1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone

C17H19N3O — CID 3287675

IUPAC1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
SMILESCCN(C)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H19N3O/c1-4-20(3)17-11-9-16(10-12-17)19-18-15-7-5-14(6-8-15)13(2)21/h5-12H,4H2,1-3H3/b19-18+
InChIKeyWBXMXTVEAJLPON-VHEBQXMUSA-N
MW281.36 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone

1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone (PubChem CID 3287675) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
PubChem CID3287675
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
SMILESCCN(C)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H19N3O/c1-4-20(3)17-11-9-16(10-12-17)19-18-15-7-5-14(6-8-15)13(2)21/h5-12H,4H2,1-3H3/b19-18+
InChIKeyWBXMXTVEAJLPON-VHEBQXMUSA-N
XLogP4.76
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204
1-[4-[[2-[[4-[methyl(propyl)amino]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
CID 129088574
1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
CID 60967715
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone (CID 3287675) is 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone is CCN(C)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone?
The InChIKey is WBXMXTVEAJLPON-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-20(3)17-11-9-16(10-12-17)19-18-15-7-5-14(6-8-15)13(2)21/h5-12H,4H2,1-3H3/b19-18+.
What are the key properties of 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone?
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone has a molecular weight of 281.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 3287675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).