1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one

C17H19N3O — CID 58678925

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

About 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one

1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one (PubChem CID 58678925) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
PubChem CID58678925
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H19N3O/c1-4-17(21)13-5-7-14(8-6-13)18-19-15-9-11-16(12-10-15)20(2)3/h5-12H,4H2,1-3H3/b19-18+
InChIKeyBMNOAHUSEZLAPH-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'}

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Related Compounds

sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
CID 142257739
2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone
CID 157137484
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one (CID 58678925) is 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one is CCC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one?
The InChIKey is BMNOAHUSEZLAPH-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-17(21)13-5-7-14(8-6-13)18-19-15-9-11-16(12-10-15)20(2)3/h5-12H,4H2,1-3H3/b19-18+.
What are the key properties of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one?
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one 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-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one is sourced from PubChem (CID 58678925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).