4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide

C25H25N3O2 — CID 143445901

IUPAC4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2cc(C=C)c(OC)cc2-c2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-4-17-12-21(14-28-22-9-7-18(8-10-22)25(26)27)23(13-24(17)30-3)19-5-6-20(15-29)16(2)11-19/h4-13,15,28H,1,14H2,2-3H3,(H3,26,27)
InChIKeyYNSWHGWTSDFZKW-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.02
Rot. Bonds8

About 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide

4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide (PubChem CID 143445901) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide
PubChem CID143445901
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2cc(C=C)c(OC)cc2-c2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-4-17-12-21(14-28-22-9-7-18(8-10-22)25(26)27)23(13-24(17)30-3)19-5-6-20(15-29)16(2)11-19/h4-13,15,28H,1,14H2,2-3H3,(H3,26,27)
InChIKeyYNSWHGWTSDFZKW-UHFFFAOYSA-N
XLogP5.02
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide?
The IUPAC name of 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide (CID 143445901) is 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCc2cc(C=C)c(OC)cc2-c2ccc(C=O)c(C)c2)cc1.
What is the InChIKey of 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide?
The InChIKey is YNSWHGWTSDFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-17-12-21(14-28-22-9-7-18(8-10-22)25(26)27)23(13-24(17)30-3)19-5-6-20(15-29)16(2)11-19/h4-13,15,28H,1,14H2,2-3H3,(H3,26,27).
What are the key properties of 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide?
4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide has a molecular weight of 399.49 g/mol, XLogP of 5.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide is sourced from PubChem (CID 143445901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).