N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide

C30H47NO5Si — CID 91211041

IUPACN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C30H47NO5Si/c1-21(35-16-15-34-8)28(33)31-19-22-11-13-24(14-12-22)37(9,10)20-36-23-17-25(29(2,3)4)27(32)26(18-23)30(5,6)7/h11-14,17-18,21,32H,15-16,19-20H2,1-10H3,(H,31,33)
InChIKeyBELVYNPDHWRXHM-UHFFFAOYSA-N
MW529.79 g/mol
LogP5.19
Rot. Bonds11

About N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide

N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide (PubChem CID 91211041) has the molecular formula C30H47NO5Si and a molecular weight of 529.79 g/mol. Its IUPAC name is N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide
PubChem CID91211041
Molecular FormulaC30H47NO5Si
Molecular Weight529.79 g/mol
Exact Mass529.32
IUPAC NameN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C30H47NO5Si/c1-21(35-16-15-34-8)28(33)31-19-22-11-13-24(14-12-22)37(9,10)20-36-23-17-25(29(2,3)4)27(32)26(18-23)30(5,6)7/h11-14,17-18,21,32H,15-16,19-20H2,1-10H3,(H,31,33)
InChIKeyBELVYNPDHWRXHM-UHFFFAOYSA-N
XLogP5.19
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.79
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide (CID 91211041) is N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide is COCCOC(C)C(=O)NCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.
What is the InChIKey of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is BELVYNPDHWRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO5Si/c1-21(35-16-15-34-8)28(33)31-19-22-11-13-24(14-12-22)37(9,10)20-36-23-17-25(29(2,3)4)27(32)26(18-23)30(5,6)7/h11-14,17-18,21,32H,15-16,19-20H2,1-10H3,(H,31,33).
What are the key properties of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide?
N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 529.79 g/mol, XLogP of 5.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 91211041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).