N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide

C18H30FNOSi — CID 72704289

IUPACN-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide
SMILESCC(C)(C)[Si](F)(CCNC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-20-16(21)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21)
InChIKeyCVQVFGMCNZQKPM-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.86
Rot. Bonds5

About N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide

N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide (PubChem CID 72704289) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide
PubChem CID72704289
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC NameN-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide
SMILESCC(C)(C)[Si](F)(CCNC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-20-16(21)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21)
InChIKeyCVQVFGMCNZQKPM-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide 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-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide (CID 72704289) is N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide is CC(C)(C)[Si](F)(CCNC(=O)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide?
The InChIKey is CVQVFGMCNZQKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-20-16(21)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21).
What are the key properties of N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide?
N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide has a molecular weight of 323.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ditert-butyl(fluoro)silyl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 72704289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).