(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide

C22H31NO3Si — CID 86663240

IUPAC(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/c1-18(21(24)23(5)25-6)17-26-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyYZCWDEPSGUWDRN-SFHVURJKSA-N
MW385.58 g/mol
LogP3.22
Rot. Bonds7

About (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide (PubChem CID 86663240) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide
PubChem CID86663240
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/c1-18(21(24)23(5)25-6)17-26-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyYZCWDEPSGUWDRN-SFHVURJKSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide (CID 86663240) is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide is CON(C)C(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is YZCWDEPSGUWDRN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-18(21(24)23(5)25-6)17-26-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3/t18-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide?
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 385.58 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 86663240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).