N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide

C14H14N2O3 — CID 135643715

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1O
InChIInChI=1S/C14H14N2O3/c1-9(11-5-3-4-6-13(11)17)15-16-14(18)12-7-8-19-10(12)2/h3-8,17H,1-2H3,(H,16,18)/b15-9+
InChIKeyFYOSVRCALVWUKM-OQLLNIDSSA-N
MW258.28 g/mol
LogP2.45
Rot. Bonds3

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135643715) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135643715
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1O
InChIInChI=1S/C14H14N2O3/c1-9(11-5-3-4-6-13(11)17)15-16-14(18)12-7-8-19-10(12)2/h3-8,17H,1-2H3,(H,16,18)/b15-9+
InChIKeyFYOSVRCALVWUKM-OQLLNIDSSA-N
XLogP2.45
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide (CID 135643715) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N\NC(=O)c1ccoc1C)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is FYOSVRCALVWUKM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(11-5-3-4-6-13(11)17)15-16-14(18)12-7-8-19-10(12)2/h3-8,17H,1-2H3,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).