4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide

C17H29NO4Si — CID 175314964

IUPAC4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
SMILESCCO[Si](CCCC(N)=O)(OCC)OC(C)Cc1ccccc1
InChIInChI=1S/C17H29NO4Si/c1-4-20-23(21-5-2,13-9-12-17(18)19)22-15(3)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H2,18,19)
InChIKeyGQJRYZTXIIPNGD-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.91
Rot. Bonds12

About 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide

4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide (PubChem CID 175314964) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide.

Molecular Properties

Compound Name4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
PubChem CID175314964
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Name4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
SMILESCCO[Si](CCCC(N)=O)(OCC)OC(C)Cc1ccccc1
InChIInChI=1S/C17H29NO4Si/c1-4-20-23(21-5-2,13-9-12-17(18)19)22-15(3)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H2,18,19)
InChIKeyGQJRYZTXIIPNGD-UHFFFAOYSA-N
XLogP2.91
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.91
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

4-[dimethoxy(phenylmethoxy)silyl]butanamide
CID 174833122
methyl 2-benzyl-3-triethoxysilylpropanoate
CID 101367769
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide?
The IUPAC name of 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide (CID 175314964) is 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide.
What is the SMILES notation for 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide?
The canonical SMILES for 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide is CCO[Si](CCCC(N)=O)(OCC)OC(C)Cc1ccccc1.
What is the InChIKey of 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide?
The InChIKey is GQJRYZTXIIPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-4-20-23(21-5-2,13-9-12-17(18)19)22-15(3)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H2,18,19).
What are the key properties of 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide?
4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide has a molecular weight of 339.51 g/mol, XLogP of 2.91, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide is sourced from PubChem (CID 175314964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).