methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate

C22H20N2O6 — CID 9175476

IUPACmethyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccco3)cc2OC)cc1
InChIInChI=1S/C22H20N2O6/c1-27-20-12-16(13-23-24-21(25)19-4-3-11-29-19)7-10-18(20)30-14-15-5-8-17(9-6-15)22(26)28-2/h3-13H,14H2,1-2H3,(H,24,25)/b23-13-
InChIKeyOEZYKDMQABCILP-QRVIBDJDSA-N
MW408.41 g/mol
LogP3.42
Rot. Bonds8

About methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate

methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate (PubChem CID 9175476) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
PubChem CID9175476
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Namemethyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccco3)cc2OC)cc1
InChIInChI=1S/C22H20N2O6/c1-27-20-12-16(13-23-24-21(25)19-4-3-11-29-19)7-10-18(20)30-14-15-5-8-17(9-6-15)22(26)28-2/h3-13H,14H2,1-2H3,(H,24,25)/b23-13-
InChIKeyOEZYKDMQABCILP-QRVIBDJDSA-N
XLogP3.42
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate with MolForge

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Related Compounds

N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
CID 21370277
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
methyl 4-[[2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 9025984
[4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 1035543
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
methyl 4-[[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6904476
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate (CID 9175476) is methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccco3)cc2OC)cc1.
What is the InChIKey of methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate?
The InChIKey is OEZYKDMQABCILP-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-27-20-12-16(13-23-24-21(25)19-4-3-11-29-19)7-10-18(20)30-14-15-5-8-17(9-6-15)22(26)28-2/h3-13H,14H2,1-2H3,(H,24,25)/b23-13-.
What are the key properties of methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate?
methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate has a molecular weight of 408.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate is sourced from PubChem (CID 9175476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).