3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide

C28H41NOSi — CID 54381001

IUPAC3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
SMILESCCCCCCCC[Si](C)(C)C=CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C28H41NOSi/c1-5-6-7-8-9-13-21-31(3,4)22-20-28(30)29-27(26-14-11-10-12-15-26)23-25-18-16-24(2)17-19-25/h10-12,14-20,22,27H,5-9,13,21,23H2,1-4H3,(H,29,30)
InChIKeyUZWMJEDOZRKDDM-UHFFFAOYSA-N
MW435.73 g/mol
LogP7.56
Rot. Bonds13

About 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide

3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide (PubChem CID 54381001) has the molecular formula C28H41NOSi and a molecular weight of 435.73 g/mol. Its IUPAC name is 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
PubChem CID54381001
Molecular FormulaC28H41NOSi
Molecular Weight435.73 g/mol
Exact Mass435.30
IUPAC Name3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
SMILESCCCCCCCC[Si](C)(C)C=CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C28H41NOSi/c1-5-6-7-8-9-13-21-31(3,4)22-20-28(30)29-27(26-14-11-10-12-15-26)23-25-18-16-24(2)17-19-25/h10-12,14-20,22,27H,5-9,13,21,23H2,1-4H3,(H,29,30)
InChIKeyUZWMJEDOZRKDDM-UHFFFAOYSA-N
XLogP7.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.73
LogP ≤ 57.56
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide
CID 54296875
3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
CID 130246328
N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-2-ynamide
CID 54531392
N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
CID 67913722
N-(1,2-diphenylethyl)pentanamide
CID 134014505
(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine
CID 141216590
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide?
The IUPAC name of 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide (CID 54381001) is 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide is CCCCCCCC[Si](C)(C)C=CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide?
The InChIKey is UZWMJEDOZRKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NOSi/c1-5-6-7-8-9-13-21-31(3,4)22-20-28(30)29-27(26-14-11-10-12-15-26)23-25-18-16-24(2)17-19-25/h10-12,14-20,22,27H,5-9,13,21,23H2,1-4H3,(H,29,30).
What are the key properties of 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide?
3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide has a molecular weight of 435.73 g/mol, XLogP of 7.56, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 54381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).