2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile

C19H18N4O — CID 169339424

IUPAC2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCOc1c(C)cc(-c2cccc(NN=C(C#N)C#N)c2)cc1C
InChIInChI=1S/C19H18N4O/c1-4-24-19-13(2)8-16(9-14(19)3)15-6-5-7-17(10-15)22-23-18(11-20)12-21/h5-10,22H,4H2,1-3H3
InChIKeyAKRIXEKOLAQCQF-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.18
Rot. Bonds5

About 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339424) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339424
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCOc1c(C)cc(-c2cccc(NN=C(C#N)C#N)c2)cc1C
InChIInChI=1S/C19H18N4O/c1-4-24-19-13(2)8-16(9-14(19)3)15-6-5-7-17(10-15)22-23-18(11-20)12-21/h5-10,22H,4H2,1-3H3
InChIKeyAKRIXEKOLAQCQF-UHFFFAOYSA-N
XLogP4.18
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate
CID 169341534
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630
2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340828
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340608
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile (CID 169339424) is 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile is CCOc1c(C)cc(-c2cccc(NN=C(C#N)C#N)c2)cc1C.
What is the InChIKey of 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is AKRIXEKOLAQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-4-24-19-13(2)8-16(9-14(19)3)15-6-5-7-17(10-15)22-23-18(11-20)12-21/h5-10,22H,4H2,1-3H3.
What are the key properties of 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 318.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).