N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide

C24H35NO2Si — CID 18354461

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide
SMILESCN(CC(CCO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(5,6)27-18-17-22(20-13-9-7-10-14-20)19-25(4)23(26)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3
InChIKeyAEOORGVVRBAEBA-UHFFFAOYSA-N
MW397.64 g/mol
LogP5.95
Rot. Bonds8

About N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide (PubChem CID 18354461) has the molecular formula C24H35NO2Si and a molecular weight of 397.64 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide
PubChem CID18354461
Molecular FormulaC24H35NO2Si
Molecular Weight397.64 g/mol
Exact Mass397.24
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide
SMILESCN(CC(CCO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(5,6)27-18-17-22(20-13-9-7-10-14-20)19-25(4)23(26)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3
InChIKeyAEOORGVVRBAEBA-UHFFFAOYSA-N
XLogP5.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide 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-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide (CID 18354461) is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide is CN(CC(CCO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide?
The InChIKey is AEOORGVVRBAEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-24(2,3)28(5,6)27-18-17-22(20-13-9-7-10-14-20)19-25(4)23(26)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide has a molecular weight of 397.64 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutyl]-N-methylbenzamide is sourced from PubChem (CID 18354461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).