N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide

C28H22N4O6 — CID 27059659

IUPACN-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
SMILESCC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1
InChIInChI=1S/C28H22N4O6/c1-17(33)19-5-3-7-21(13-19)25-11-9-23(37-25)15-29-31-27(35)28(36)32-30-16-24-10-12-26(38-24)22-8-4-6-20(14-22)18(2)34/h3-16H,1-2H3,(H,31,35)(H,32,36)/b29-15-,30-16+
InChIKeyAFPFPDRIMJJNCH-CBTGBURPSA-N
MW510.51 g/mol
LogP4.21
Rot. Bonds8

About N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide

N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide (PubChem CID 27059659) has the molecular formula C28H22N4O6 and a molecular weight of 510.51 g/mol. Its IUPAC name is N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
PubChem CID27059659
Molecular FormulaC28H22N4O6
Molecular Weight510.51 g/mol
Exact Mass510.15
IUPAC NameN-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
SMILESCC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1
InChIInChI=1S/C28H22N4O6/c1-17(33)19-5-3-7-21(13-19)25-11-9-23(37-25)15-29-31-27(35)28(36)32-30-16-24-10-12-26(38-24)22-8-4-6-20(14-22)18(2)34/h3-16H,1-2H3,(H,31,35)(H,32,36)/b29-15-,30-16+
InChIKeyAFPFPDRIMJJNCH-CBTGBURPSA-N
XLogP4.21
TPSA143.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide 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

methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
1-[3-[5-[(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]phenyl]ethanone
CID 3935144
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
N-(3,4-dimethylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 94837456
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365
[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
CID 89247186
N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 6871551
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
methyl 3-[5-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6006584
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide?
The IUPAC name of N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide (CID 27059659) is N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide.
What is the SMILES notation for N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide?
The canonical SMILES for N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide is CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1.
What is the InChIKey of N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide?
The InChIKey is AFPFPDRIMJJNCH-CBTGBURPSA-N. The full InChI is InChI=1S/C28H22N4O6/c1-17(33)19-5-3-7-21(13-19)25-11-9-23(37-25)15-29-31-27(35)28(36)32-30-16-24-10-12-26(38-24)22-8-4-6-20(14-22)18(2)34/h3-16H,1-2H3,(H,31,35)(H,32,36)/b29-15-,30-16+.
What are the key properties of N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide?
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide has a molecular weight of 510.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide is sourced from PubChem (CID 27059659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).