2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide

C14H14N2O2 — CID 5421742

IUPAC2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-10(12-6-4-3-5-7-12)15-16-14(17)13-8-9-18-11(13)2/h3-9H,1-2H3,(H,16,17)/b15-10+
InChIKeyXXDOALYLCLZHBY-XNTDXEJSSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide (PubChem CID 5421742) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
PubChem CID5421742
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-10(12-6-4-3-5-7-12)15-16-14(17)13-8-9-18-11(13)2/h3-9H,1-2H3,(H,16,17)/b15-10+
InChIKeyXXDOALYLCLZHBY-XNTDXEJSSA-N
XLogP2.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide (CID 5421742) is 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide is C/C(=N\NC(=O)c1ccoc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide?
The InChIKey is XXDOALYLCLZHBY-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(12-6-4-3-5-7-12)15-16-14(17)13-8-9-18-11(13)2/h3-9H,1-2H3,(H,16,17)/b15-10+.
What are the key properties of 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5421742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).