ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate

C24H18N2O6 — CID 126384129

IUPACethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C24H18N2O6/c1-2-28-21(27)15-31-17-9-7-16(8-10-17)14-26-24-18(13-25)22(19-5-3-11-29-19)23(32-24)20-6-4-12-30-20/h3-12,14H,2,15H2,1H3
InChIKeyXPGPAFNLVJZCKW-UHFFFAOYSA-N
MW430.42 g/mol
LogP5.36
Rot. Bonds8

About ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate

ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate (PubChem CID 126384129) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
PubChem CID126384129
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Nameethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C24H18N2O6/c1-2-28-21(27)15-31-17-9-7-16(8-10-17)14-26-24-18(13-25)22(19-5-3-11-29-19)23(32-24)20-6-4-12-30-20/h3-12,14H,2,15H2,1H3
InChIKeyXPGPAFNLVJZCKW-UHFFFAOYSA-N
XLogP5.36
TPSA111.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate with MolForge

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Related Compounds

2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
CID 1286677
2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379848
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126384909
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
CID 137094384
2-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126383787
4,5-bis(furan-2-yl)-2-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]furan-3-carbonitrile
CID 126391055
2-cyano-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 70275472

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate (CID 126384129) is ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate is CCOC(=O)COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate?
The InChIKey is XPGPAFNLVJZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-2-28-21(27)15-31-17-9-7-16(8-10-17)14-26-24-18(13-25)22(19-5-3-11-29-19)23(32-24)20-6-4-12-30-20/h3-12,14H,2,15H2,1H3.
What are the key properties of ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate?
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate has a molecular weight of 430.42 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate is sourced from PubChem (CID 126384129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).