(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide

C28H40ClN3O — CID 10073417

IUPAC(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CC/C(=N/Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C28H40ClN3O/c1-3-5-7-12-22-32(23-13-8-6-4-2)28(33)21-20-27(24-14-10-9-11-15-24)31-30-26-18-16-25(29)17-19-26/h9-11,14-19,30H,3-8,12-13,20-23H2,1-2H3/b31-27-
InChIKeyNCPWRIZKMBXMJM-QVTSOHHYSA-N
MW470.10 g/mol
LogP7.93
Rot. Bonds16

About (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide

(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide (PubChem CID 10073417) has the molecular formula C28H40ClN3O and a molecular weight of 470.10 g/mol. Its IUPAC name is (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide.

Molecular Properties

Compound Name(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide
PubChem CID10073417
Molecular FormulaC28H40ClN3O
Molecular Weight470.10 g/mol
Exact Mass469.29
IUPAC Name(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CC/C(=N/Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C28H40ClN3O/c1-3-5-7-12-22-32(23-13-8-6-4-2)28(33)21-20-27(24-14-10-9-11-15-24)31-30-26-18-16-25(29)17-19-26/h9-11,14-19,30H,3-8,12-13,20-23H2,1-2H3/b31-27-
InChIKeyNCPWRIZKMBXMJM-QVTSOHHYSA-N
XLogP7.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.10
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide?
The IUPAC name of (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide (CID 10073417) is (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide.
What is the SMILES notation for (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide?
The canonical SMILES for (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide is CCCCCCN(CCCCCC)C(=O)CC/C(=N/Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide?
The InChIKey is NCPWRIZKMBXMJM-QVTSOHHYSA-N. The full InChI is InChI=1S/C28H40ClN3O/c1-3-5-7-12-22-32(23-13-8-6-4-2)28(33)21-20-27(24-14-10-9-11-15-24)31-30-26-18-16-25(29)17-19-26/h9-11,14-19,30H,3-8,12-13,20-23H2,1-2H3/b31-27-.
What are the key properties of (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide?
(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide has a molecular weight of 470.10 g/mol, XLogP of 7.93, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-N,N-dihexyl-4-phenylbutanamide is sourced from PubChem (CID 10073417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).