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

C18H16N2O2 — CID 5402903

IUPAC2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1cccc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12(19-20-18(21)16-10-11-22-13(16)2)15-9-5-7-14-6-3-4-8-17(14)15/h3-11H,1-2H3,(H,20,21)/b19-12+
InChIKeyUCHALWHCSSEORO-XDHOZWIPSA-N
MW292.34 g/mol
LogP3.90
Rot. Bonds3

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

2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide (PubChem CID 5402903) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide
PubChem CID5402903
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1cccc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12(19-20-18(21)16-10-11-22-13(16)2)15-9-5-7-14-6-3-4-8-17(14)15/h3-11H,1-2H3,(H,20,21)/b19-12+
InChIKeyUCHALWHCSSEORO-XDHOZWIPSA-N
XLogP3.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.90
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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Related Compounds

2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
CID 5421742
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-methylfuran-3-carbohydrazide
CID 135643715
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6878689
N'-[(E)-biphenyl-4-ylmethylidene]-2-methylfuran-3-carbohydrazide
CID 6878959
2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6880356
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135549682
2,5-dimethyl-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]furan-3-carbohydrazide
CID 9638589
2-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]furan-3-carbohydrazide
CID 6878947
N'-[(E)-[4-(Benzyloxy)phenyl]methylidene]-2-methylfuran-3-carbohydrazide
CID 9557075
N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 3290781
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide
CID 4573044
N'-[1-(1-adamantyl)ethylidene]-2-methyl-3-furohydrazide
CID 5342171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide (CID 5402903) is 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide is C/C(=N\NC(=O)c1ccoc1C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide?
The InChIKey is UCHALWHCSSEORO-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(19-20-18(21)16-10-11-22-13(16)2)15-9-5-7-14-6-3-4-8-17(14)15/h3-11H,1-2H3,(H,20,21)/b19-12+.
What are the key properties of 2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]furan-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.90, 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-naphthalen-1-ylethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5402903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).