(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide

C19H33NO4Si — CID 132918944

IUPAC(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide
SMILESCC(C)(C)[Si](C)(C)OCCNC(=O)[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-14-12-20-18(22)17(11-13-21)23-15-16-9-7-6-8-10-16/h6-10,17,21H,11-15H2,1-5H3,(H,20,22)/t17-/m0/s1
InChIKeyVBTGUBIRPPBOOC-KRWDZBQOSA-N
MW367.56 g/mol
LogP3.09
Rot. Bonds10

About (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide

(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide (PubChem CID 132918944) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide
PubChem CID132918944
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Name(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide
SMILESCC(C)(C)[Si](C)(C)OCCNC(=O)[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-14-12-20-18(22)17(11-13-21)23-15-16-9-7-6-8-10-16/h6-10,17,21H,11-15H2,1-5H3,(H,20,22)/t17-/m0/s1
InChIKeyVBTGUBIRPPBOOC-KRWDZBQOSA-N
XLogP3.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3S)-N-ethyl-3-(hydroxymethyl)-4-phenylmethoxybutanamide
CID 44313648
2-phenylmethoxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 44434264
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one
CID 10315823
N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
CID 15447302
(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one
CID 23634959
(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one
CID 134830527
Methyl 3-[(4-acetyloxy-3,3-dimethyl-2-phenylmethoxybutanoyl)amino]propanoate
CID 134836974
3-[(4-Hydroxy-3,3-dimethyl-2-phenylmethoxybutanoyl)amino]propanoic acid
CID 134836975
(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one
CID 134918462
4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide
CID 135013372
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 101322217
N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide
CID 104857352

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide?
The IUPAC name of (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide (CID 132918944) is (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide.
What is the SMILES notation for (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide?
The canonical SMILES for (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide is CC(C)(C)[Si](C)(C)OCCNC(=O)[C@H](CCO)OCc1ccccc1.
What is the InChIKey of (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide?
The InChIKey is VBTGUBIRPPBOOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-14-12-20-18(22)17(11-13-21)23-15-16-9-7-6-8-10-16/h6-10,17,21H,11-15H2,1-5H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide?
(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide has a molecular weight of 367.56 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide is sourced from PubChem (CID 132918944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).