3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide

C21H20N2O2 — CID 68862205

IUPAC3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occ(/C=C/CCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20N2O2/c22-23-21(24)20-19(17-12-5-2-6-13-17)18(15-25-20)14-8-7-11-16-9-3-1-4-10-16/h1-6,8-10,12-15H,7,11,22H2,(H,23,24)/b14-8+
InChIKeyUCIGWWWZJOFYLQ-RIYZIHGNSA-N
MW332.40 g/mol
LogP4.20
Rot. Bonds6

About 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide

3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide (PubChem CID 68862205) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide
PubChem CID68862205
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occ(/C=C/CCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20N2O2/c22-23-21(24)20-19(17-12-5-2-6-13-17)18(15-25-20)14-8-7-11-16-9-3-1-4-10-16/h1-6,8-10,12-15H,7,11,22H2,(H,23,24)/b14-8+
InChIKeyUCIGWWWZJOFYLQ-RIYZIHGNSA-N
XLogP4.20
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide?
The IUPAC name of 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide (CID 68862205) is 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide?
The canonical SMILES for 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide is NNC(=O)c1occ(/C=C/CCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide?
The InChIKey is UCIGWWWZJOFYLQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-23-21(24)20-19(17-12-5-2-6-13-17)18(15-25-20)14-8-7-11-16-9-3-1-4-10-16/h1-6,8-10,12-15H,7,11,22H2,(H,23,24)/b14-8+.
What are the key properties of 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide?
3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide has a molecular weight of 332.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[(E)-4-phenylbut-1-enyl]furan-2-carbohydrazide is sourced from PubChem (CID 68862205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).