N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C14H14N2O4 — CID 135529636

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(O)cc2O)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-15-7-10-3-4-11(17)6-13(10)18/h3-7,17-18H,1-2H3,(H,16,19)/b15-7-
InChIKeyQJHZPXYRRUHJTC-CHHVJCJISA-N
MW274.28 g/mol
LogP2.07
Rot. Bonds3

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 135529636) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID135529636
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(O)cc2O)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-15-7-10-3-4-11(17)6-13(10)18/h3-7,17-18H,1-2H3,(H,16,19)/b15-7-
InChIKeyQJHZPXYRRUHJTC-CHHVJCJISA-N
XLogP2.07
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
2,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]furan-3-carboxamide
CID 847616
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518529
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 135529636) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C\c2ccc(O)cc2O)c(C)o1.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QJHZPXYRRUHJTC-CHHVJCJISA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-15-7-10-3-4-11(17)6-13(10)18/h3-7,17-18H,1-2H3,(H,16,19)/b15-7-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 135529636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).