2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide

C26H23N3O2 — CID 5223464

IUPAC2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C26H23N3O2/c1-19-17-25(20(2)31-19)26(30)28-27-18-21-13-15-24(16-14-21)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3,(H,28,30)
InChIKeyLUSWZPYVLIJAGG-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.13
Rot. Bonds6

About 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide (PubChem CID 5223464) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
PubChem CID5223464
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C26H23N3O2/c1-19-17-25(20(2)31-19)26(30)28-27-18-21-13-15-24(16-14-21)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3,(H,28,30)
InChIKeyLUSWZPYVLIJAGG-UHFFFAOYSA-N
XLogP6.13
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.13
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'}

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Related Compounds

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
methyl 4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
CID 5402097
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide (CID 5223464) is 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide is Cc1cc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide?
The InChIKey is LUSWZPYVLIJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-17-25(20(2)31-19)26(30)28-27-18-21-13-15-24(16-14-21)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3,(H,28,30).
What are the key properties of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5223464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).