4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide

C22H38FN3O4Si — CID 140861812

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide
SMILESCCCCCCN(C)C(=O)c1cc([N+](=O)[O-])c(NCCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C22H38FN3O4Si/c1-8-9-10-11-13-25(5)21(27)17-15-20(26(28)29)19(16-18(17)23)24-12-14-30-31(6,7)22(2,3)4/h15-16,24H,8-14H2,1-7H3
InChIKeyNFDOGWSLAQOFGL-UHFFFAOYSA-N
MW455.65 g/mol
LogP5.82
Rot. Bonds12

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide

4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide (PubChem CID 140861812) has the molecular formula C22H38FN3O4Si and a molecular weight of 455.65 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide
PubChem CID140861812
Molecular FormulaC22H38FN3O4Si
Molecular Weight455.65 g/mol
Exact Mass455.26
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide
SMILESCCCCCCN(C)C(=O)c1cc([N+](=O)[O-])c(NCCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C22H38FN3O4Si/c1-8-9-10-11-13-25(5)21(27)17-15-20(26(28)29)19(16-18(17)23)24-12-14-30-31(6,7)22(2,3)4/h15-16,24H,8-14H2,1-7H3
InChIKeyNFDOGWSLAQOFGL-UHFFFAOYSA-N
XLogP5.82
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide 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 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide (CID 140861812) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide is CCCCCCN(C)C(=O)c1cc([N+](=O)[O-])c(NCCO[Si](C)(C)C(C)(C)C)cc1F.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide?
The InChIKey is NFDOGWSLAQOFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38FN3O4Si/c1-8-9-10-11-13-25(5)21(27)17-15-20(26(28)29)19(16-18(17)23)24-12-14-30-31(6,7)22(2,3)4/h15-16,24H,8-14H2,1-7H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide?
4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide has a molecular weight of 455.65 g/mol, XLogP of 5.82, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-fluoro-N-hexyl-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 140861812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).