3-acetyl-5-oxo-4-phenylhexanehydrazide

C14H18N2O3 — CID 70548759

IUPAC3-acetyl-5-oxo-4-phenylhexanehydrazide
SMILESCC(=O)C(CC(=O)NN)C(C(C)=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-9(17)12(8-13(19)16-15)14(10(2)18)11-6-4-3-5-7-11/h3-7,12,14H,8,15H2,1-2H3,(H,16,19)
InChIKeyAONBWGYNZCTSQZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds6

About 3-acetyl-5-oxo-4-phenylhexanehydrazide

3-acetyl-5-oxo-4-phenylhexanehydrazide (PubChem CID 70548759) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-acetyl-5-oxo-4-phenylhexanehydrazide.

Molecular Properties

Compound Name3-acetyl-5-oxo-4-phenylhexanehydrazide
PubChem CID70548759
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-acetyl-5-oxo-4-phenylhexanehydrazide
SMILESCC(=O)C(CC(=O)NN)C(C(C)=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-9(17)12(8-13(19)16-15)14(10(2)18)11-6-4-3-5-7-11/h3-7,12,14H,8,15H2,1-2H3,(H,16,19)
InChIKeyAONBWGYNZCTSQZ-UHFFFAOYSA-N
XLogP0.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 3-acetyl-5-oxo-4-phenylhexanehydrazide 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

(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
3-benzhydryl-1-phenylpentane-1,4-dione
CID 15122089
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-phenylsulfanylbutanehydrazide
CID 63582257
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
(3S,4S)-4-hydroxy-3-phenylheptan-2-one
CID 95004321
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
N-methyl-3,3-diphenylpropanamide
CID 3373592

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-oxo-4-phenylhexanehydrazide?
The IUPAC name of 3-acetyl-5-oxo-4-phenylhexanehydrazide (CID 70548759) is 3-acetyl-5-oxo-4-phenylhexanehydrazide.
What is the SMILES notation for 3-acetyl-5-oxo-4-phenylhexanehydrazide?
The canonical SMILES for 3-acetyl-5-oxo-4-phenylhexanehydrazide is CC(=O)C(CC(=O)NN)C(C(C)=O)c1ccccc1.
What is the InChIKey of 3-acetyl-5-oxo-4-phenylhexanehydrazide?
The InChIKey is AONBWGYNZCTSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)12(8-13(19)16-15)14(10(2)18)11-6-4-3-5-7-11/h3-7,12,14H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-acetyl-5-oxo-4-phenylhexanehydrazide?
3-acetyl-5-oxo-4-phenylhexanehydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-oxo-4-phenylhexanehydrazide is sourced from PubChem (CID 70548759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).