N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C24H24N4O5 — CID 94832643

IUPACN-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C24H24N4O5/c1-16-5-6-17(2)21(12-16)27-23(30)24(31)28-26-13-18-7-9-19(10-8-18)33-15-22(29)25-14-20-4-3-11-32-20/h3-13H,14-15H2,1-2H3,(H,25,29)(H,27,30)(H,28,31)/b26-13-
InChIKeyITYVWXCFTLTVDM-ZMFRSBBQSA-N
MW448.48 g/mol
LogP2.68
Rot. Bonds8

About N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832643) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID94832643
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C24H24N4O5/c1-16-5-6-17(2)21(12-16)27-23(30)24(31)28-26-13-18-7-9-19(10-8-18)33-15-22(29)25-14-20-4-3-11-32-20/h3-13H,14-15H2,1-2H3,(H,25,29)(H,27,30)(H,28,31)/b26-13-
InChIKeyITYVWXCFTLTVDM-ZMFRSBBQSA-N
XLogP2.68
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide 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

N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N'-[(Z)-[2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126275102
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]oxamide
CID 94832642
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 1260914
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5440236
N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126258632
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3900181

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 94832643) is N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is ITYVWXCFTLTVDM-ZMFRSBBQSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-16-5-6-17(2)21(12-16)27-23(30)24(31)28-26-13-18-7-9-19(10-8-18)33-15-22(29)25-14-20-4-3-11-32-20/h3-13H,14-15H2,1-2H3,(H,25,29)(H,27,30)(H,28,31)/b26-13-.
What are the key properties of N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 448.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).