N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide

C25H37NO2Si — CID 12968561

IUPACN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
SMILESCCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-7-8-19-26-24(27)23(28-29(5,6)25(2,3)4)22(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-23H,7-8,19H2,1-6H3,(H,26,27)
InChIKeyHMWBQCBYNYULOI-UHFFFAOYSA-N
MW411.66 g/mol
LogP6.13
Rot. Bonds9

About N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide

N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide (PubChem CID 12968561) has the molecular formula C25H37NO2Si and a molecular weight of 411.66 g/mol. Its IUPAC name is N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
PubChem CID12968561
Molecular FormulaC25H37NO2Si
Molecular Weight411.66 g/mol
Exact Mass411.26
IUPAC NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
SMILESCCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-7-8-19-26-24(27)23(28-29(5,6)25(2,3)4)22(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-23H,7-8,19H2,1-6H3,(H,26,27)
InChIKeyHMWBQCBYNYULOI-UHFFFAOYSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.66
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide?
The IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide (CID 12968561) is N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide.
What is the SMILES notation for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide?
The canonical SMILES for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide is CCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide?
The InChIKey is HMWBQCBYNYULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2Si/c1-7-8-19-26-24(27)23(28-29(5,6)25(2,3)4)22(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-23H,7-8,19H2,1-6H3,(H,26,27).
What are the key properties of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide?
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide has a molecular weight of 411.66 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide is sourced from PubChem (CID 12968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).