5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide

C23H23N3O6 — CID 6874283

IUPAC5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1
InChIInChI=1S/C23H23N3O6/c1-3-5-16-8-10-20(22(13-16)30-2)31-15-19-9-11-21(32-19)23(27)25-24-14-17-6-4-7-18(12-17)26(28)29/h4,6-14H,3,5,15H2,1-2H3,(H,25,27)/b24-14+
InChIKeyHHWSFPWRVYCMEV-ZVHZXABRSA-N
MW437.45 g/mol
LogP4.49
Rot. Bonds10

About 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide

5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6874283) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide
PubChem CID6874283
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1
InChIInChI=1S/C23H23N3O6/c1-3-5-16-8-10-20(22(13-16)30-2)31-15-19-9-11-21(32-19)23(27)25-24-14-17-6-4-7-18(12-17)26(28)29/h4,6-14H,3,5,15H2,1-2H3,(H,25,27)/b24-14+
InChIKeyHHWSFPWRVYCMEV-ZVHZXABRSA-N
XLogP4.49
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N'-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}benzohydrazide
CID 6872816
5-[(4-tert-butylphenoxy)methyl]-N'-{4-nitrobenzylidene}-2-furohydrazide
CID 6874281
N'-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 9564854
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-{2-hydroxy-5-nitrobenzylidene}-2-furohydrazide
CID 135688419
3,4,5-Trimethoxy-N'-(3-nitrobenzylidene)benzohydrazide
CID 6861410
N'-[4-(benzyloxy)-3-methoxybenzylidene]-3-nitrobenzohydrazide
CID 5339707
N-[(E)-(3-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6888132
N'-{3-nitrobenzylidene}-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9564883
5-[(3,4-dimethylphenoxy)methyl]-N'-(2-methoxybenzylidene)-2-furohydrazide
CID 5430522
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 1359986
N'-[(E)-(4-methoxy-3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883350
[2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6893461

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide (CID 6874283) is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1.
What is the InChIKey of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is HHWSFPWRVYCMEV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-5-16-8-10-20(22(13-16)30-2)31-15-19-9-11-21(32-19)23(27)25-24-14-17-6-4-7-18(12-17)26(28)29/h4,6-14H,3,5,15H2,1-2H3,(H,25,27)/b24-14+.
What are the key properties of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide?
5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).