3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide

C21H29NOSi — CID 10404952

IUPAC3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-5-22(6-2)21(23)17-20(18-13-9-7-10-14-18)24(3,4)19-15-11-8-12-16-19/h7-16,20H,5-6,17H2,1-4H3
InChIKeyBDILYUFLSLVQSG-UHFFFAOYSA-N
MW339.56 g/mol
LogP4.18
Rot. Bonds7

About 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide

3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide (PubChem CID 10404952) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide
PubChem CID10404952
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-5-22(6-2)21(23)17-20(18-13-9-7-10-14-18)24(3,4)19-15-11-8-12-16-19/h7-16,20H,5-6,17H2,1-4H3
InChIKeyBDILYUFLSLVQSG-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diphenamid
CID 13728
N,N-Diethyl-2-phenylacetamide
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AI3-37156
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N-phenethyl-2-phenylacetamide
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N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
N-(3-phenylpropyl)cyclohexanecarboxamide
CID 2163843
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
N,N-diethyl-2,2-diphenylacetamide
CID 229107

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide?
The IUPAC name of 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide (CID 10404952) is 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide is CCN(CC)C(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide?
The InChIKey is BDILYUFLSLVQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-5-22(6-2)21(23)17-20(18-13-9-7-10-14-18)24(3,4)19-15-11-8-12-16-19/h7-16,20H,5-6,17H2,1-4H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide?
3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide has a molecular weight of 339.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide is sourced from PubChem (CID 10404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).