(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide

C22H31NO4Si — CID 46837809

IUPAC(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO4Si/c1-22(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18(24)16-21(25)23(4)26-5/h6-15,18,24H,16-17H2,1-5H3/t18-/m0/s1
InChIKeyLFOQHECXTZQIAZ-SFHVURJKSA-N
MW401.58 g/mol
LogP2.33
Rot. Bonds8

About (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide

(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide (PubChem CID 46837809) has the molecular formula C22H31NO4Si and a molecular weight of 401.58 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
PubChem CID46837809
Molecular FormulaC22H31NO4Si
Molecular Weight401.58 g/mol
Exact Mass401.20
IUPAC Name(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO4Si/c1-22(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18(24)16-21(25)23(4)26-5/h6-15,18,24H,16-17H2,1-5H3/t18-/m0/s1
InChIKeyLFOQHECXTZQIAZ-SFHVURJKSA-N
XLogP2.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide?
The IUPAC name of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide (CID 46837809) is (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide is CON(C)C(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide?
The InChIKey is LFOQHECXTZQIAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31NO4Si/c1-22(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18(24)16-21(25)23(4)26-5/h6-15,18,24H,16-17H2,1-5H3/t18-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide?
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide has a molecular weight of 401.58 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 46837809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).