3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide

C29H45NOSi — CID 70183841

IUPAC3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide
SMILESCCCCCCCCC[Si](C)(C)CCC(=O)NCC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C29H45NOSi/c1-5-6-7-8-9-10-14-22-32(3,4)23-21-29(31)30-24-28(26-15-12-11-13-16-26)27-19-17-25(2)18-20-27/h11-13,15-20,28H,5-10,14,21-24H2,1-4H3,(H,30,31)
InChIKeyWJEZITFZDVIURJ-UHFFFAOYSA-N
MW451.77 g/mol
LogP8.09
Rot. Bonds15

About 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide

3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide (PubChem CID 70183841) has the molecular formula C29H45NOSi and a molecular weight of 451.77 g/mol. Its IUPAC name is 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide
PubChem CID70183841
Molecular FormulaC29H45NOSi
Molecular Weight451.77 g/mol
Exact Mass451.33
IUPAC Name3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide
SMILESCCCCCCCCC[Si](C)(C)CCC(=O)NCC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C29H45NOSi/c1-5-6-7-8-9-10-14-22-32(3,4)23-21-29(31)30-24-28(26-15-12-11-13-16-26)27-19-17-25(2)18-20-27/h11-13,15-20,28H,5-10,14,21-24H2,1-4H3,(H,30,31)
InChIKeyWJEZITFZDVIURJ-UHFFFAOYSA-N
XLogP8.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.77
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
CID 54381001
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide?
The IUPAC name of 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide (CID 70183841) is 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide?
The canonical SMILES for 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide is CCCCCCCCC[Si](C)(C)CCC(=O)NCC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide?
The InChIKey is WJEZITFZDVIURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NOSi/c1-5-6-7-8-9-10-14-22-32(3,4)23-21-29(31)30-24-28(26-15-12-11-13-16-26)27-19-17-25(2)18-20-27/h11-13,15-20,28H,5-10,14,21-24H2,1-4H3,(H,30,31).
What are the key properties of 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide?
3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide has a molecular weight of 451.77 g/mol, XLogP of 8.09, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(nonyl)silyl]-N-[2-(4-methylphenyl)-2-phenylethyl]propanamide is sourced from PubChem (CID 70183841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).