N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide

C21H19N3O5 — CID 94833180

IUPACN-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H19N3O5/c1-27-17-10-6-16(7-11-17)23-20(25)14-29-18-8-4-15(5-9-18)13-22-24-21(26)19-3-2-12-28-19/h2-13H,14H2,1H3,(H,23,25)(H,24,26)/b22-13-
InChIKeyGWKUWLZLPXCPHG-XKZIYDEJSA-N
MW393.40 g/mol
LogP3.07
Rot. Bonds8

About N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide

N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide (PubChem CID 94833180) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
PubChem CID94833180
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H19N3O5/c1-27-17-10-6-16(7-11-17)23-20(25)14-29-18-8-4-15(5-9-18)13-22-24-21(26)19-3-2-12-28-19/h2-13H,14H2,1H3,(H,23,25)(H,24,26)/b22-13-
InChIKeyGWKUWLZLPXCPHG-XKZIYDEJSA-N
XLogP3.07
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-benzyl-N'-[(E)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832235
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94832376
N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
CID 18273469
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19660610
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 9175372

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide (CID 94833180) is N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide is COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is GWKUWLZLPXCPHG-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-27-17-10-6-16(7-11-17)23-20(25)14-29-18-8-4-15(5-9-18)13-22-24-21(26)19-3-2-12-28-19/h2-13H,14H2,1H3,(H,23,25)(H,24,26)/b22-13-.
What are the key properties of N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide?
N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 94833180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).