N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

C14H14N2O4 — CID 136934866

IUPACN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(5-6-20-9)14(18)16-15-8-10-7-11(19-2)3-4-13(10)17/h3-8,17H,1-2H3,(H,16,18)/b15-8-
InChIKeyYYWRPRHZZUSUED-NVNXTCNLSA-N
MW274.28 g/mol
LogP2.07
Rot. Bonds4

About N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 136934866) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID136934866
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(5-6-20-9)14(18)16-15-8-10-7-11(19-2)3-4-13(10)17/h3-8,17H,1-2H3,(H,16,18)/b15-8-
InChIKeyYYWRPRHZZUSUED-NVNXTCNLSA-N
XLogP2.07
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-methylfuran-3-carbohydrazide
CID 135643715
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135508993
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135549682
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5336453
N'-[(E)-furan-3-ylmethylidene]-2-hydroxybenzohydrazide
CID 9637734
(E)-N'-((E)-2-bromo-3-phenylallylidene)-2-methylfuran-3-carbohydrazide
CID 6868936
2-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]furan-3-carbohydrazide
CID 6878947
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135517131
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 6878674
N'-[(E)-[4-(Benzyloxy)phenyl]methylidene]-2-methylfuran-3-carbohydrazide
CID 9557075
SmNACE inhibitor, 2
CID 135576100
N-[[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 760371

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 136934866) is N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is COc1ccc(O)c(/C=N\NC(=O)c2ccoc2C)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is YYWRPRHZZUSUED-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-12(5-6-20-9)14(18)16-15-8-10-7-11(19-2)3-4-13(10)17/h3-8,17H,1-2H3,(H,16,18)/b15-8-.
What are the key properties of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 136934866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).