2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate

C18H20N4O2 — CID 101258494

IUPAC2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)c1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C18H20N4O2/c1-14(2)18(23)24-13-12-22(3)17-6-4-15(5-7-17)20-21-16-8-10-19-11-9-16/h4-11H,1,12-13H2,2-3H3/b21-20+
InChIKeySDIZNIAWZAOICF-QZQOTICOSA-N
MW324.38 g/mol
LogP4.05
Rot. Bonds7

About 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate

2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate (PubChem CID 101258494) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate
PubChem CID101258494
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)c1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C18H20N4O2/c1-14(2)18(23)24-13-12-22(3)17-6-4-15(5-7-17)20-21-16-8-10-19-11-9-16/h4-11H,1,12-13H2,2-3H3/b21-20+
InChIKeySDIZNIAWZAOICF-QZQOTICOSA-N
XLogP4.05
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
3-(2-methylprop-2-enoyloxy)propyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 100943241
2-[2-[2-[4-[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-N-methylanilino]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102373199
6-[N-methyl-4-[[3-methyl-4-(2-pyrazin-2-ylethynyl)phenyl]diazenyl]anilino]hexyl 2-methylprop-2-enoate
CID 156900222
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2-methylpropanoate
CID 142226495
2-[methyl-[[4-(2-methylprop-2-enoyloxymethyl)phenyl]diazenyl]amino]ethyl 2-methylprop-2-enoate
CID 171590773
6-(N-methylanilino)hexyl 2-methylprop-2-enoate
CID 11780765
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethyl 2-methylprop-2-enoate
CID 19702674
2-[4-[[4-(2,2-dicyanoethenyl)phenyl]diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
CID 101222672
2-[4-[(3-chloro-4-cyanophenyl)diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
CID 102472654
2-[4-[[4-[[4-(9-acetyloxynonoxy)phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl propanoate
CID 164806359
2-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]anilino]ethyl 2-methylprop-2-enoate
CID 122674496

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate (CID 101258494) is 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)c1ccc(/N=N/c2ccncc2)cc1.
What is the InChIKey of 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate?
The InChIKey is SDIZNIAWZAOICF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14(2)18(23)24-13-12-22(3)17-6-4-15(5-7-17)20-21-16-8-10-19-11-9-16/h4-11H,1,12-13H2,2-3H3/b21-20+.
What are the key properties of 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate?
2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).