N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide

C20H17N3O6 — CID 1359986

IUPACN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17N3O6/c1-27-19-11-15(12-21-22-20(24)18-3-2-10-28-18)6-9-17(19)29-13-14-4-7-16(8-5-14)23(25)26/h2-12H,13H2,1H3,(H,22,24)
InChIKeyDEPMQUBFSNOPDF-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.54
Rot. Bonds8

About N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide

N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide (PubChem CID 1359986) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
PubChem CID1359986
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC NameN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17N3O6/c1-27-19-11-15(12-21-22-20(24)18-3-2-10-28-18)6-9-17(19)29-13-14-4-7-16(8-5-14)23(25)26/h2-12H,13H2,1H3,(H,22,24)
InChIKeyDEPMQUBFSNOPDF-UHFFFAOYSA-N
XLogP3.54
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.54
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

N'-[(1E,2Z)-3-(2-Nitrophenyl)prop-2-EN-1-ylidene]furan-2-carbohydrazide
CID 6879946
N'-{(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}furan-2-carbohydrazide
CID 9559755
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'-[4-(benzyloxy)-3-methoxybenzylidene]-3-nitrobenzohydrazide
CID 5339707
N'-{(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-benzodioxole-5-carbohydrazide
CID 5497396
N'-{[5-(4-nitrophenyl)-2-furyl]methylene}-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 5719799
4-((E)-{2-[2-(2-nitrophenoxy)acetyl]hydrazono}methyl)phenyl 2-furoate
CID 9552557
2-(2-{4-Nitrobenzoyl}carbohydrazonoyl)phenyl 2-furoate
CID 9725767
N'-{3-nitrobenzylidene}-5-[(2-methoxy-4-propylphenoxy)methyl]-2-furohydrazide
CID 6874283
3,4-Dimethoxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6868893
[2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6893461

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide (CID 1359986) is N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide is COc1cc(C=NNC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is DEPMQUBFSNOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-27-19-11-15(12-21-22-20(24)18-3-2-10-28-18)6-9-17(19)29-13-14-4-7-16(8-5-14)23(25)26/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide?
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1359986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).