2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide

C23H41NO3Si — CID 152762095

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide
SMILESCCCCCCCCc1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(N)=O)cc1
InChIInChI=1S/C23H41NO3Si/c1-7-8-9-10-11-12-13-19-14-16-20(17-15-19)26-18-21(22(24)25)27-28(5,6)23(2,3)4/h14-17,21H,7-13,18H2,1-6H3,(H2,24,25)
InChIKeyLOJOEVGYIXSXIA-UHFFFAOYSA-N
MW407.67 g/mol
LogP5.84
Rot. Bonds13

About 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide

2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide (PubChem CID 152762095) has the molecular formula C23H41NO3Si and a molecular weight of 407.67 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide
PubChem CID152762095
Molecular FormulaC23H41NO3Si
Molecular Weight407.67 g/mol
Exact Mass407.29
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide
SMILESCCCCCCCCc1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(N)=O)cc1
InChIInChI=1S/C23H41NO3Si/c1-7-8-9-10-11-12-13-19-14-16-20(17-15-19)26-18-21(22(24)25)27-28(5,6)23(2,3)4/h14-17,21H,7-13,18H2,1-6H3,(H2,24,25)
InChIKeyLOJOEVGYIXSXIA-UHFFFAOYSA-N
XLogP5.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.67
LogP ≤ 55.84
H-Bond Donors ≤ 51
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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Related Compounds

2-(4-nonylphenoxy)acetamide
CID 54388059
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
2-(4-octylphenoxy)ethyl 2,2,2-tribromoacetate
CID 58711530
2-(4-octylphenoxy)acetic acid
CID 27145
[3-(4-hexylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139601199
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
1-hexoxy-4-pentylbenzene
CID 54277450
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
6-(4-hexylphenoxy)hexyl 2-methylbutanoate
CID 59705797
2-(4-octylphenoxy)propanoic acid
CID 158773320

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide (CID 152762095) is 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide is CCCCCCCCc1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(N)=O)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide?
The InChIKey is LOJOEVGYIXSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3Si/c1-7-8-9-10-11-12-13-19-14-16-20(17-15-19)26-18-21(22(24)25)27-28(5,6)23(2,3)4/h14-17,21H,7-13,18H2,1-6H3,(H2,24,25).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide?
2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide has a molecular weight of 407.67 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-octylphenoxy)propanamide is sourced from PubChem (CID 152762095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).