4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile

C24H23N3O3 — CID 92658404

IUPAC4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESCOc1ccc(CN/N=C\c2ccccc2OCc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-28-23-12-11-20(13-24(23)29-2)15-26-27-16-21-5-3-4-6-22(21)30-17-19-9-7-18(14-25)8-10-19/h3-13,16,26H,15,17H2,1-2H3/b27-16-
InChIKeyRDOJVRNHTXNYJK-YUMHPJSZSA-N
MW401.47 g/mol
LogP4.28
Rot. Bonds9

About 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile

4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile (PubChem CID 92658404) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
PubChem CID92658404
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESCOc1ccc(CN/N=C\c2ccccc2OCc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-28-23-12-11-20(13-24(23)29-2)15-26-27-16-21-5-3-4-6-22(21)30-17-19-9-7-18(14-25)8-10-19/h3-13,16,26H,15,17H2,1-2H3/b27-16-
InChIKeyRDOJVRNHTXNYJK-YUMHPJSZSA-N
XLogP4.28
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]methanamine
CID 92658395
1-(3,4-dimethoxyphenyl)-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]methanamine
CID 92658133
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 92658396
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110839709
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
N-[(E)-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169121
4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245951
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2435222
3-[[3-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 133169278
3-[[2-methoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245967

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile (CID 92658404) is 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile is COc1ccc(CN/N=C\c2ccccc2OCc2ccc(C#N)cc2)cc1OC.
What is the InChIKey of 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The InChIKey is RDOJVRNHTXNYJK-YUMHPJSZSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-23-12-11-20(13-24(23)29-2)15-26-27-16-21-5-3-4-6-22(21)30-17-19-9-7-18(14-25)8-10-19/h3-13,16,26H,15,17H2,1-2H3/b27-16-.
What are the key properties of 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile has a molecular weight of 401.47 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 92658404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).