N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide

C28H41NO3Si — CID 158535558

IUPACN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide
SMILESCCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO3Si/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31)
InChIKeyWILIIKDGNMRUON-UHFFFAOYSA-N
MW467.73 g/mol
LogP5.00
Rot. Bonds14

About N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide

N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide (PubChem CID 158535558) has the molecular formula C28H41NO3Si and a molecular weight of 467.73 g/mol. Its IUPAC name is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide
PubChem CID158535558
Molecular FormulaC28H41NO3Si
Molecular Weight467.73 g/mol
Exact Mass467.29
IUPAC NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide
SMILESCCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO3Si/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31)
InChIKeyWILIIKDGNMRUON-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.73
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide?
The IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide (CID 158535558) is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide.
What is the SMILES notation for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide?
The canonical SMILES for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide is CCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide?
The InChIKey is WILIIKDGNMRUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO3Si/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31).
What are the key properties of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide?
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide has a molecular weight of 467.73 g/mol, XLogP of 5.00, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide is sourced from PubChem (CID 158535558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).