(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide

C33H53NO3Si — CID 134918202

IUPAC(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide
SMILESCCCC[Si](CCCC)(CCCC)OCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C33H53NO3Si/c1-6-9-24-38(25-10-7-2,26-11-8-3)37-23-22-31(27-29-18-14-12-15-19-29)33(36)34(5)28(4)32(35)30-20-16-13-17-21-30/h12-21,28,31-32,35H,6-11,22-27H2,1-5H3/t28-,31-,32+/m0/s1
InChIKeyCTNXVKNRAOEFJO-JWBZKWLISA-N
MW539.88 g/mol
LogP8.18
Rot. Bonds19

About (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide

(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide (PubChem CID 134918202) has the molecular formula C33H53NO3Si and a molecular weight of 539.88 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide
PubChem CID134918202
Molecular FormulaC33H53NO3Si
Molecular Weight539.88 g/mol
Exact Mass539.38
IUPAC Name(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide
SMILESCCCC[Si](CCCC)(CCCC)OCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C33H53NO3Si/c1-6-9-24-38(25-10-7-2,26-11-8-3)37-23-22-31(27-29-18-14-12-15-19-29)33(36)34(5)28(4)32(35)30-20-16-13-17-21-30/h12-21,28,31-32,35H,6-11,22-27H2,1-5H3/t28-,31-,32+/m0/s1
InChIKeyCTNXVKNRAOEFJO-JWBZKWLISA-N
XLogP8.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.88
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide?
The IUPAC name of (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide (CID 134918202) is (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide?
The canonical SMILES for (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide is CCCC[Si](CCCC)(CCCC)OCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide?
The InChIKey is CTNXVKNRAOEFJO-JWBZKWLISA-N. The full InChI is InChI=1S/C33H53NO3Si/c1-6-9-24-38(25-10-7-2,26-11-8-3)37-23-22-31(27-29-18-14-12-15-19-29)33(36)34(5)28(4)32(35)30-20-16-13-17-21-30/h12-21,28,31-32,35H,6-11,22-27H2,1-5H3/t28-,31-,32+/m0/s1.
What are the key properties of (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide?
(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide has a molecular weight of 539.88 g/mol, XLogP of 8.18, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide is sourced from PubChem (CID 134918202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).