1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone

C22H21N5O — CID 134216733

IUPAC1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESCCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-3-23-18-8-10-20(11-9-18)25-27-22-14-12-21(13-15-22)26-24-19-6-4-17(5-7-19)16(2)28/h4-15,23H,3H2,1-2H3/b26-24+,27-25+
InChIKeyAILIPNSWDVUWTO-OWUYFMIJSA-N
MW371.44 g/mol
LogP7.15
Rot. Bonds7

About 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone

1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone (PubChem CID 134216733) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
PubChem CID134216733
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESCCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-3-23-18-8-10-20(11-9-18)25-27-22-14-12-21(13-15-22)26-24-19-6-4-17(5-7-19)16(2)28/h4-15,23H,3H2,1-2H3/b26-24+,27-25+
InChIKeyAILIPNSWDVUWTO-OWUYFMIJSA-N
XLogP7.15
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
bis[4-(ethylamino)phenyl]methanone
CID 157337395
1-[4-(propylamino)phenyl]ethanone
CID 7304598
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
4-[[4-(octadecylamino)phenyl]diazenyl]benzoic acid
CID 3321705
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
bis(4-(ethylamino)benzoic acid);propane-1,3-diol
CID 175444404
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
(4-acetylanilino)methanesulfinic acid
CID 175150534
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone (CID 134216733) is 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone is CCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The InChIKey is AILIPNSWDVUWTO-OWUYFMIJSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-23-18-8-10-20(11-9-18)25-27-22-14-12-21(13-15-22)26-24-19-6-4-17(5-7-19)16(2)28/h4-15,23H,3H2,1-2H3/b26-24+,27-25+.
What are the key properties of 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 134216733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).