N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide

C22H20N2O3 — CID 1227717

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
SMILESCC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cc(C)oc1C
InChIInChI=1S/C22H20N2O3/c1-13-12-18(15(3)26-13)14(2)23-24-22(25)21-16-8-4-6-10-19(16)27-20-11-7-5-9-17(20)21/h4-12,21H,1-3H3,(H,24,25)
InChIKeyVSRNXBSIIQYFNU-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.67
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 1227717) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
PubChem CID1227717
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
SMILESCC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cc(C)oc1C
InChIInChI=1S/C22H20N2O3/c1-13-12-18(15(3)26-13)14(2)23-24-22(25)21-16-8-4-6-10-19(16)27-20-11-7-5-9-17(20)21/h4-12,21H,1-3H3,(H,24,25)
InChIKeyVSRNXBSIIQYFNU-UHFFFAOYSA-N
XLogP4.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
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
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
CID 9120771
N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]-9H-xanthene-9-carboxamide
CID 17285222
N-[1-[3-(benzenesulfonamido)phenyl]ethylideneamino]-9H-xanthene-9-carboxamide
CID 997750
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 6092650
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135578951
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide (CID 1227717) is N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide is CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cc(C)oc1C.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is VSRNXBSIIQYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-12-18(15(3)26-13)14(2)23-24-22(25)21-16-8-4-6-10-19(16)27-20-11-7-5-9-17(20)21/h4-12,21H,1-3H3,(H,24,25).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1227717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).