2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide

C26H28N4O7 — CID 2853456

IUPAC2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C26H28N4O7/c1-5-35-19-9-7-17(13-23(19)33-3)15-27-29-25(31)21-11-12-22(37-21)26(32)30-28-16-18-8-10-20(36-6-2)24(14-18)34-4/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyPFDQGVSHXZVGOT-UHFFFAOYSA-N
MW508.53 g/mol
LogP3.62
Rot. Bonds12

About 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 2853456) has the molecular formula C26H28N4O7 and a molecular weight of 508.53 g/mol. Its IUPAC name is 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID2853456
Molecular FormulaC26H28N4O7
Molecular Weight508.53 g/mol
Exact Mass508.20
IUPAC Name2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C26H28N4O7/c1-5-35-19-9-7-17(13-23(19)33-3)15-27-29-25(31)21-11-12-22(37-21)26(32)30-28-16-18-8-10-20(36-6-2)24(14-18)34-4/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyPFDQGVSHXZVGOT-UHFFFAOYSA-N
XLogP3.62
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide 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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide (CID 2853456) is 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide is CCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)c(OC)c3)o2)cc1OC.
What is the InChIKey of 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is PFDQGVSHXZVGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O7/c1-5-35-19-9-7-17(13-23(19)33-3)15-27-29-25(31)21-11-12-22(37-21)26(32)30-28-16-18-8-10-20(36-6-2)24(14-18)34-4/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 508.53 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 2853456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).