N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide

C20H35NO2Si — CID 12968559

IUPACN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
SMILESCCCCNC(=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-7-8-16-21-19(22)18(23-24(5,6)20(2,3)4)15-14-17-12-10-9-11-13-17/h9-13,18H,7-8,14-16H2,1-6H3,(H,21,22)
InChIKeyOBSDBFHHZARTJI-UHFFFAOYSA-N
MW349.59 g/mol
LogP4.93
Rot. Bonds9

About N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide

N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide (PubChem CID 12968559) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide.

Molecular Properties

Compound NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
PubChem CID12968559
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
SMILESCCCCNC(=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-7-8-16-21-19(22)18(23-24(5,6)20(2,3)4)15-14-17-12-10-9-11-13-17/h9-13,18H,7-8,14-16H2,1-6H3,(H,21,22)
InChIKeyOBSDBFHHZARTJI-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Hermitamide A
CID 10473646
(E)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
CID 11602937
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
Phenethyl(7R,4E)-Methoxytetradecenamide
CID 56680147
7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
CID 73026204
Benzeneacetamide, N-methyl-alpha-((trimethylsilyl)oxy)-
CID 3073653
(2S)-N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215109
N-acetylphenylalanine tms ester
CID 129677095
(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone
CID 10826417
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 14807861
N-cyclohexyl-2-hydroxy-4-phenylbutanamide
CID 54048905

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide?
The IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide (CID 12968559) is N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide.
What is the SMILES notation for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide?
The canonical SMILES for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide is CCCCNC(=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide?
The InChIKey is OBSDBFHHZARTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-7-8-16-21-19(22)18(23-24(5,6)20(2,3)4)15-14-17-12-10-9-11-13-17/h9-13,18H,7-8,14-16H2,1-6H3,(H,21,22).
What are the key properties of N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide?
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide has a molecular weight of 349.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide is sourced from PubChem (CID 12968559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).