2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

C24H20N2O4 — CID 2347116

IUPAC2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESCCCCOc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C24H20N2O4/c1-2-3-12-27-18-10-8-17(9-11-18)16-26-24-19(15-25)22(20-6-4-13-28-20)23(30-24)21-7-5-14-29-21/h4-11,13-14,16H,2-3,12H2,1H3
InChIKeyINDPVFKTMKKTMZ-UHFFFAOYSA-N
MW400.43 g/mol
LogP6.60
Rot. Bonds8

About 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 2347116) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID2347116
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESCCCCOc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C24H20N2O4/c1-2-3-12-27-18-10-8-17(9-11-18)16-26-24-19(15-25)22(20-6-4-13-28-20)23(30-24)21-7-5-14-29-21/h4-11,13-14,16H,2-3,12H2,1H3
InChIKeyINDPVFKTMKKTMZ-UHFFFAOYSA-N
XLogP6.60
TPSA84.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
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
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-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
CID 137094384
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 23795745
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 2347116) is 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is CCCCOc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is INDPVFKTMKKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-3-12-27-18-10-8-17(9-11-18)16-26-24-19(15-25)22(20-6-4-13-28-20)23(30-24)21-7-5-14-29-21/h4-11,13-14,16H,2-3,12H2,1H3.
What are the key properties of 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 400.43 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 2347116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).