N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

C25H28N2O6 — CID 4308006

IUPACN-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CC(=NNC(=O)c2cc(C)oc2C)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H28N2O6/c1-15-11-19(16(2)33-15)25(28)27-26-20(18-8-10-22(30-4)24(14-18)32-6)12-17-7-9-21(29-3)23(13-17)31-5/h7-11,13-14H,12H2,1-6H3,(H,27,28)
InChIKeyMLWAQFCIBUVGFR-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.31
Rot. Bonds9

About N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 4308006) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID4308006
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC NameN-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CC(=NNC(=O)c2cc(C)oc2C)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H28N2O6/c1-15-11-19(16(2)33-15)25(28)27-26-20(18-8-10-22(30-4)24(14-18)32-6)12-17-7-9-21(29-3)23(13-17)31-5/h7-11,13-14H,12H2,1-6H3,(H,27,28)
InChIKeyMLWAQFCIBUVGFR-UHFFFAOYSA-N
XLogP4.31
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.31
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'}

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
CID 6371445
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6910713
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
CID 9215818
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55912633
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
CID 9461207
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126143054

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 4308006) is N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is COc1ccc(CC(=NNC(=O)c2cc(C)oc2C)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MLWAQFCIBUVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-15-11-19(16(2)33-15)25(28)27-26-20(18-8-10-22(30-4)24(14-18)32-6)12-17-7-9-21(29-3)23(13-17)31-5/h7-11,13-14H,12H2,1-6H3,(H,27,28).
What are the key properties of N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4308006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).