(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone

C19H23N3O2 — CID 110505608

IUPAC(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
SMILESCCCCCCOc1ccccc1C(=O)/C=N/Nc1ccccn1
InChIInChI=1S/C19H23N3O2/c1-2-3-4-9-14-24-18-11-6-5-10-16(18)17(23)15-21-22-19-12-7-8-13-20-19/h5-8,10-13,15H,2-4,9,14H2,1H3,(H,20,22)/b21-15+
InChIKeyFCNYDLSBZVOZAO-RCCKNPSSSA-N
MW325.41 g/mol
LogP4.32
Rot. Bonds10

About (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone

(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone (PubChem CID 110505608) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
PubChem CID110505608
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
SMILESCCCCCCOc1ccccc1C(=O)/C=N/Nc1ccccn1
InChIInChI=1S/C19H23N3O2/c1-2-3-4-9-14-24-18-11-6-5-10-16(18)17(23)15-21-22-19-12-7-8-13-20-19/h5-8,10-13,15H,2-4,9,14H2,1H3,(H,20,22)/b21-15+
InChIKeyFCNYDLSBZVOZAO-RCCKNPSSSA-N
XLogP4.32
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
CID 110510129
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
CID 110515291
N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
CID 110517810
2-[(2Z)-2-[2-(2-hexoxyphenyl)-2-oxoethylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788310
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522844
N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517992
1-(pyridin-2-ylhydrazinylidene)propan-2-one
CID 66920377
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181
2-(pyridin-2-ylhydrazinylidene)acetic acid
CID 75030824
2-pentoxybenzohydrazide
CID 54793215

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone?
The IUPAC name of (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone (CID 110505608) is (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone.
What is the SMILES notation for (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone?
The canonical SMILES for (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone is CCCCCCOc1ccccc1C(=O)/C=N/Nc1ccccn1.
What is the InChIKey of (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone?
The InChIKey is FCNYDLSBZVOZAO-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-4-9-14-24-18-11-6-5-10-16(18)17(23)15-21-22-19-12-7-8-13-20-19/h5-8,10-13,15H,2-4,9,14H2,1H3,(H,20,22)/b21-15+.
What are the key properties of (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone?
(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone has a molecular weight of 325.41 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone is sourced from PubChem (CID 110505608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).