N-(2-phenylethyl)-4-trimethoxysilylbutanamide

C15H25NO4Si — CID 174613430

IUPACN-(2-phenylethyl)-4-trimethoxysilylbutanamide
SMILESCO[Si](CCCC(=O)NCCc1ccccc1)(OC)OC
InChIInChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-10-15(17)16-12-11-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,17)
InChIKeyQSNPRDVSNPIJMY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.00
Rot. Bonds10

About N-(2-phenylethyl)-4-trimethoxysilylbutanamide

N-(2-phenylethyl)-4-trimethoxysilylbutanamide (PubChem CID 174613430) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-trimethoxysilylbutanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-trimethoxysilylbutanamide
PubChem CID174613430
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(2-phenylethyl)-4-trimethoxysilylbutanamide
SMILESCO[Si](CCCC(=O)NCCc1ccccc1)(OC)OC
InChIInChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-10-15(17)16-12-11-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,17)
InChIKeyQSNPRDVSNPIJMY-UHFFFAOYSA-N
XLogP2.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate
CID 59747372
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-trimethoxysilylbutanamide?
The IUPAC name of N-(2-phenylethyl)-4-trimethoxysilylbutanamide (CID 174613430) is N-(2-phenylethyl)-4-trimethoxysilylbutanamide.
What is the SMILES notation for N-(2-phenylethyl)-4-trimethoxysilylbutanamide?
The canonical SMILES for N-(2-phenylethyl)-4-trimethoxysilylbutanamide is CO[Si](CCCC(=O)NCCc1ccccc1)(OC)OC.
What is the InChIKey of N-(2-phenylethyl)-4-trimethoxysilylbutanamide?
The InChIKey is QSNPRDVSNPIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-10-15(17)16-12-11-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,17).
What are the key properties of N-(2-phenylethyl)-4-trimethoxysilylbutanamide?
N-(2-phenylethyl)-4-trimethoxysilylbutanamide has a molecular weight of 311.45 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-trimethoxysilylbutanamide is sourced from PubChem (CID 174613430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).