butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium

C18H24N3O+ — CID 2407829

IUPACbutyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium
SMILESCCCC[NH2+]CC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-2-3-14-19-15-18(22)20-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,22)/p+1
InChIKeyDRHQGLIAMFACPH-UHFFFAOYSA-O
MW298.41 g/mol
LogP2.22
Rot. Bonds8

About butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium

butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium (PubChem CID 2407829) has the molecular formula C18H24N3O+ and a molecular weight of 298.41 g/mol. Its IUPAC name is butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium
PubChem CID2407829
Molecular FormulaC18H24N3O+
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Namebutyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium
SMILESCCCC[NH2+]CC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-2-3-14-19-15-18(22)20-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,22)/p+1
InChIKeyDRHQGLIAMFACPH-UHFFFAOYSA-O
XLogP2.22
TPSA48.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium 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 butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium?
The IUPAC name of butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium (CID 2407829) is butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium.
What is the SMILES notation for butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium?
The canonical SMILES for butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium is CCCC[NH2+]CC(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium?
The InChIKey is DRHQGLIAMFACPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O/c1-2-3-14-19-15-18(22)20-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,22)/p+1.
What are the key properties of butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium?
butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium has a molecular weight of 298.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2,2-diphenylhydrazinyl)-2-oxoethyl]azanium is sourced from PubChem (CID 2407829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).