N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

C14H14N2O4 — CID 135517131

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccoc2C)ccc1O
InChIInChI=1S/C14H14N2O4/c1-9-11(5-6-20-9)14(18)16-15-8-10-3-4-12(17)13(7-10)19-2/h3-8,17H,1-2H3,(H,16,18)/b15-8+
InChIKeyXGHJUNGQUGNFCJ-OVCLIPMQSA-N
MW274.28 g/mol
LogP2.07
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135517131) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135517131
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccoc2C)ccc1O
InChIInChI=1S/C14H14N2O4/c1-9-11(5-6-20-9)14(18)16-15-8-10-3-4-12(17)13(7-10)19-2/h3-8,17H,1-2H3,(H,16,18)/b15-8+
InChIKeyXGHJUNGQUGNFCJ-OVCLIPMQSA-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_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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 135517131) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is XGHJUNGQUGNFCJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-11(5-6-20-9)14(18)16-15-8-10-3-4-12(17)13(7-10)19-2/h3-8,17H,1-2H3,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(4-hydroxy-3-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-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135517131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).