(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine

C20H20N2O3 — CID 44580180

IUPAC(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
SMILESCOc1cc(/C(=N/N)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(22-21)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,21H2,1-3H3/b22-19+
InChIKeyFLKFWALCXYEQJB-ZBJSNUHESA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds5

About (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine

(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine (PubChem CID 44580180) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine.

Molecular Properties

Compound Name(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
PubChem CID44580180
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
SMILESCOc1cc(/C(=N/N)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(22-21)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,21H2,1-3H3/b22-19+
InChIKeyFLKFWALCXYEQJB-ZBJSNUHESA-N
XLogP3.58
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The IUPAC name of (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine (CID 44580180) is (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine.
What is the SMILES notation for (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The canonical SMILES for (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine is COc1cc(/C(=N/N)c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The InChIKey is FLKFWALCXYEQJB-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H20N2O3/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(22-21)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,21H2,1-3H3/b22-19+.
What are the key properties of (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
(E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine has a molecular weight of 336.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydrazine is sourced from PubChem (CID 44580180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).