2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile

C27H23N3O2 — CID 17246062

IUPAC2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
SMILESCOc1ccccc1CN/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C27H23N3O2/c1-31-26-13-7-5-10-22(26)17-29-30-18-25-24-12-6-4-8-20(24)14-15-27(25)32-19-23-11-3-2-9-21(23)16-28/h2-15,18,29H,17,19H2,1H3/b30-18+
InChIKeyUYTPVCRDCCVELI-UXHLAJHPSA-N
MW421.50 g/mol
LogP5.42
Rot. Bonds8

About 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile

2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile (PubChem CID 17246062) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
PubChem CID17246062
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
SMILESCOc1ccccc1CN/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C27H23N3O2/c1-31-26-13-7-5-10-22(26)17-29-30-18-25-24-12-6-4-8-20(24)14-15-27(25)32-19-23-11-3-2-9-21(23)16-28/h2-15,18,29H,17,19H2,1H3/b30-18+
InChIKeyUYTPVCRDCCVELI-UXHLAJHPSA-N
XLogP5.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148458
2-[[2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29147479
N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6138625
2-[[1-[(Z)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 126048508
N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061178
2-[[2-chloro-6-ethoxy-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29148372
2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
CID 29148524
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126223223
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245610
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245617
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile?
The IUPAC name of 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile (CID 17246062) is 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile is COc1ccccc1CN/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12.
What is the InChIKey of 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile?
The InChIKey is UYTPVCRDCCVELI-UXHLAJHPSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-31-26-13-7-5-10-22(26)17-29-30-18-25-24-12-6-4-8-20(24)14-15-27(25)32-19-23-11-3-2-9-21(23)16-28/h2-15,18,29H,17,19H2,1H3/b30-18+.
What are the key properties of 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile?
2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile has a molecular weight of 421.50 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 17246062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).