N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

C14H14N2O5 — CID 135642156

IUPACN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1O
InChIInChI=1S/C14H14N2O5/c1-19-11-6-9(7-12(20-2)13(11)17)8-15-16-14(18)10-4-3-5-21-10/h3-8,17H,1-2H3,(H,16,18)/b15-8+
InChIKeyFCYZGMKRLUTVQJ-OVCLIPMQSA-N
MW290.28 g/mol
LogP1.77
Rot. Bonds5

About N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135642156) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID135642156
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1O
InChIInChI=1S/C14H14N2O5/c1-19-11-6-9(7-12(20-2)13(11)17)8-15-16-14(18)10-4-3-5-21-10/h3-8,17H,1-2H3,(H,16,18)/b15-8+
InChIKeyFCYZGMKRLUTVQJ-OVCLIPMQSA-N
XLogP1.77
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1102193
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 137035489
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
CID 21370277
methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
CID 9175476
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
CID 137045088
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 135642156) is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is FCYZGMKRLUTVQJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-19-11-6-9(7-12(20-2)13(11)17)8-15-16-14(18)10-4-3-5-21-10/h3-8,17H,1-2H3,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135642156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).