N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide

C22H38N2O2Si — CID 85242696

IUPACN'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC1NNC(=O)c1ccccc1
InChIInChI=1S/C22H38N2O2Si/c1-22(2,3)27(4,5)26-17-10-9-12-18-15-11-16-20(18)23-24-21(25)19-13-7-6-8-14-19/h6-8,13-14,18,20,23H,9-12,15-17H2,1-5H3,(H,24,25)
InChIKeyHHSZWGVJXZEYOB-UHFFFAOYSA-N
MW390.64 g/mol
LogP5.28
Rot. Bonds9

About N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide

N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide (PubChem CID 85242696) has the molecular formula C22H38N2O2Si and a molecular weight of 390.64 g/mol. Its IUPAC name is N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
PubChem CID85242696
Molecular FormulaC22H38N2O2Si
Molecular Weight390.64 g/mol
Exact Mass390.27
IUPAC NameN'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC1NNC(=O)c1ccccc1
InChIInChI=1S/C22H38N2O2Si/c1-22(2,3)27(4,5)26-17-10-9-12-18-15-11-16-20(18)23-24-21(25)19-13-7-6-8-14-19/h6-8,13-14,18,20,23H,9-12,15-17H2,1-5H3,(H,24,25)
InChIKeyHHSZWGVJXZEYOB-UHFFFAOYSA-N
XLogP5.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide 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 N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide?
The IUPAC name of N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide (CID 85242696) is N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide is CC(C)(C)[Si](C)(C)OCCCCC1CCCC1NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide?
The InChIKey is HHSZWGVJXZEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2Si/c1-22(2,3)27(4,5)26-17-10-9-12-18-15-11-16-20(18)23-24-21(25)19-13-7-6-8-14-19/h6-8,13-14,18,20,23H,9-12,15-17H2,1-5H3,(H,24,25).
What are the key properties of N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide?
N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide has a molecular weight of 390.64 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide is sourced from PubChem (CID 85242696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).