1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one

C18H21N3O — CID 59751506

IUPAC1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)18(22)14-5-7-15(8-6-14)19-20-16-9-11-17(12-10-16)21(3)4/h5-13H,1-4H3/b20-19+
InChIKeySPSJZPAYELUQPY-FMQUCBEESA-N
MW295.39 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one

1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one (PubChem CID 59751506) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
PubChem CID59751506
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)18(22)14-5-7-15(8-6-14)19-20-16-9-11-17(12-10-16)21(3)4/h5-13H,1-4H3/b20-19+
InChIKeySPSJZPAYELUQPY-FMQUCBEESA-N
XLogP5.01
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.01
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]propan-1-one
CID 58678925
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
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-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990
1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
CID 143056091
4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
CID 88907308
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one (CID 59751506) is 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one?
The InChIKey is SPSJZPAYELUQPY-FMQUCBEESA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)18(22)14-5-7-15(8-6-14)19-20-16-9-11-17(12-10-16)21(3)4/h5-13H,1-4H3/b20-19+.
What are the key properties of 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one?
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 5.01, 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]-2-methylpropan-1-one is sourced from PubChem (CID 59751506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).