N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide

C15H16N2O2 — CID 7406194

IUPACN-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-10-7-11(2)13(12(3)8-10)9-16-17-15(18)14-5-4-6-19-14/h4-9H,1-3H3,(H,17,18)/b16-9-
InChIKeyGPRKMGHEYCKBNN-SXGWCWSVSA-N
MW256.31 g/mol
LogP2.97
Rot. Bonds3

About N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide

N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 7406194) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
PubChem CID7406194
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-10-7-11(2)13(12(3)8-10)9-16-17-15(18)14-5-4-6-19-14/h4-9H,1-3H3,(H,17,18)/b16-9-
InChIKeyGPRKMGHEYCKBNN-SXGWCWSVSA-N
XLogP2.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.97
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

N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
CID 177440990
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide (CID 7406194) is N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide is Cc1cc(C)c(/C=N\NC(=O)c2ccco2)c(C)c1.
What is the InChIKey of N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is GPRKMGHEYCKBNN-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-7-11(2)13(12(3)8-10)9-16-17-15(18)14-5-4-6-19-14/h4-9H,1-3H3,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 7406194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).