N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide

C33H45NO3Si — CID 18339930

IUPACN-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide
SMILESCCCCCCCC(=O)NC(c1ccccc1)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H45NO3Si/c1-5-6-7-8-18-25-31(36)34-32(27-19-12-9-13-20-27)30(35)26-37-38(33(2,3)4,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30,32,35H,5-8,18,25-26H2,1-4H3,(H,34,36)
InChIKeyPWRZCCZRXRDAQL-UHFFFAOYSA-N
MW531.81 g/mol
LogP6.14
Rot. Bonds14

About N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide

N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide (PubChem CID 18339930) has the molecular formula C33H45NO3Si and a molecular weight of 531.81 g/mol. Its IUPAC name is N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide
PubChem CID18339930
Molecular FormulaC33H45NO3Si
Molecular Weight531.81 g/mol
Exact Mass531.32
IUPAC NameN-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide
SMILESCCCCCCCC(=O)NC(c1ccccc1)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H45NO3Si/c1-5-6-7-8-18-25-31(36)34-32(27-19-12-9-13-20-27)30(35)26-37-38(33(2,3)4,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30,32,35H,5-8,18,25-26H2,1-4H3,(H,34,36)
InChIKeyPWRZCCZRXRDAQL-UHFFFAOYSA-N
XLogP6.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.81
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide?
The IUPAC name of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide (CID 18339930) is N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide.
What is the SMILES notation for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide?
The canonical SMILES for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide is CCCCCCCC(=O)NC(c1ccccc1)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide?
The InChIKey is PWRZCCZRXRDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO3Si/c1-5-6-7-8-18-25-31(36)34-32(27-19-12-9-13-20-27)30(35)26-37-38(33(2,3)4,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,30,32,35H,5-8,18,25-26H2,1-4H3,(H,34,36).
What are the key properties of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide?
N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide has a molecular weight of 531.81 g/mol, XLogP of 6.14, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide is sourced from PubChem (CID 18339930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).