4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile

C18H20N4O2 — CID 101392937

IUPAC4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
SMILESCN(CCOCCO)c1ccc(/N=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-22(10-12-24-13-11-23)18-8-6-17(7-9-18)21-20-16-4-2-15(14-19)3-5-16/h2-9,23H,10-13H2,1H3/b21-20+
InChIKeyCBPYYBNEDSWOGX-QZQOTICOSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds8

About 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile

4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile (PubChem CID 101392937) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
PubChem CID101392937
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
SMILESCN(CCOCCO)c1ccc(/N=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-22(10-12-24-13-11-23)18-8-6-17(7-9-18)21-20-16-4-2-15(14-19)3-5-16/h2-9,23H,10-13H2,1H3/b21-20+
InChIKeyCBPYYBNEDSWOGX-QZQOTICOSA-N
XLogP3.42
TPSA81.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
4-[2-(2-chloroethoxy)ethyl-methylamino]benzonitrile
CID 63666709
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
4-[[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]diazenyl]benzonitrile
CID 102123938
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
2-[4-[(4-cyanophenyl)diazenyl]-N-methylanilino]ethyl 2-ethyl-2-methylpentanoate;2-[4-(4-cyanophenyl)phenoxy]ethyl 2-ethyl-2-methylpentanoate
CID 161263916
4-[[4-[7-[bis(2-hydroxyethyl)amino]heptoxy]phenyl]diazenyl]benzonitrile
CID 102123942
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-[4-[[4-[(4-cyanophenyl)diazenyl]-2-methylphenyl]diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide
CID 161275025

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile?
The IUPAC name of 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile (CID 101392937) is 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile.
What is the SMILES notation for 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile?
The canonical SMILES for 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile is CN(CCOCCO)c1ccc(/N=N/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile?
The InChIKey is CBPYYBNEDSWOGX-QZQOTICOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(10-12-24-13-11-23)18-8-6-17(7-9-18)21-20-16-4-2-15(14-19)3-5-16/h2-9,23H,10-13H2,1H3/b21-20+.
What are the key properties of 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile?
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile has a molecular weight of 324.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile is sourced from PubChem (CID 101392937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).