2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide

C16H18N2O2 — CID 8518516

IUPAC2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)oc1C)c1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-10-7-5-6-8-14(10)12(3)17-18-16(19)15-9-11(2)20-13(15)4/h5-9H,1-4H3,(H,18,19)/b17-12-
InChIKeyWWSBIZIDRQNBML-ATVHPVEESA-N
MW270.33 g/mol
LogP3.36
Rot. Bonds3

About 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide (PubChem CID 8518516) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
PubChem CID8518516
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)oc1C)c1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-10-7-5-6-8-14(10)12(3)17-18-16(19)15-9-11(2)20-13(15)4/h5-9H,1-4H3,(H,18,19)/b17-12-
InChIKeyWWSBIZIDRQNBML-ATVHPVEESA-N
XLogP3.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.36
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)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518935
N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 1227717
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
CID 6371445

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide (CID 8518516) is 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide is C/C(=N/NC(=O)c1cc(C)oc1C)c1ccccc1C.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide?
The InChIKey is WWSBIZIDRQNBML-ATVHPVEESA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-7-5-6-8-14(10)12(3)17-18-16(19)15-9-11(2)20-13(15)4/h5-9H,1-4H3,(H,18,19)/b17-12-.
What are the key properties of 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 8518516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).