2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide

C21H23N3O3 — CID 44567469

IUPAC2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide
SMILESCc1cc(C)c(C/C(=N/OCC(=O)NN)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-13-8-14(2)17(15(3)9-13)11-18(24-26-12-21(25)23-22)20-10-16-6-4-5-7-19(16)27-20/h4-10H,11-12,22H2,1-3H3,(H,23,25)/b24-18-
InChIKeyHDDOJQWMHSEGDI-MOHJPFBDSA-N
MW365.43 g/mol
LogP3.31
Rot. Bonds6

About 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide

2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide (PubChem CID 44567469) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide.

Molecular Properties

Compound Name2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide
PubChem CID44567469
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide
SMILESCc1cc(C)c(C/C(=N/OCC(=O)NN)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-13-8-14(2)17(15(3)9-13)11-18(24-26-12-21(25)23-22)20-10-16-6-4-5-7-19(16)27-20/h4-10H,11-12,22H2,1-3H3,(H,23,25)/b24-18-
InChIKeyHDDOJQWMHSEGDI-MOHJPFBDSA-N
XLogP3.31
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetic acid
CID 74323540
(Z)-1-(5-bromo-1-benzofuran-2-yl)-N-phenylmethoxy-2-(2,4,6-trimethylphenyl)ethanimine
CID 95242510
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193555
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
1-(1-benzofuran-2-yl)ethanone
CID 15435
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide?
The IUPAC name of 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide (CID 44567469) is 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide.
What is the SMILES notation for 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide?
The canonical SMILES for 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide is Cc1cc(C)c(C/C(=N/OCC(=O)NN)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide?
The InChIKey is HDDOJQWMHSEGDI-MOHJPFBDSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-8-14(2)17(15(3)9-13)11-18(24-26-12-21(25)23-22)20-10-16-6-4-5-7-19(16)27-20/h4-10H,11-12,22H2,1-3H3,(H,23,25)/b24-18-.
What are the key properties of 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide?
2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide has a molecular weight of 365.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]oxyacetohydrazide is sourced from PubChem (CID 44567469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).