(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide

C24H43NO3Si — CID 135055008

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCC[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C24H43NO3Si/c1-17(2)29(18(3)4,19(5)6)28-16-15-20(7)24(27)25(9)21(8)23(26)22-13-11-10-12-14-22/h10-14,17-21,23,26H,15-16H2,1-9H3/t20-,21+,23-/m1/s1
InChIKeyFPJTVQWESHXEIY-FUPPJEDESA-N
MW421.70 g/mol
LogP5.79
Rot. Bonds11

About (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide (PubChem CID 135055008) has the molecular formula C24H43NO3Si and a molecular weight of 421.70 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide
PubChem CID135055008
Molecular FormulaC24H43NO3Si
Molecular Weight421.70 g/mol
Exact Mass421.30
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCC[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C24H43NO3Si/c1-17(2)29(18(3)4,19(5)6)28-16-15-20(7)24(27)25(9)21(8)23(26)22-13-11-10-12-14-22/h10-14,17-21,23,26H,15-16H2,1-9H3/t20-,21+,23-/m1/s1
InChIKeyFPJTVQWESHXEIY-FUPPJEDESA-N
XLogP5.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.70
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide (CID 135055008) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide is CC(C)[Si](OCC[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide?
The InChIKey is FPJTVQWESHXEIY-FUPPJEDESA-N. The full InChI is InChI=1S/C24H43NO3Si/c1-17(2)29(18(3)4,19(5)6)28-16-15-20(7)24(27)25(9)21(8)23(26)22-13-11-10-12-14-22/h10-14,17-21,23,26H,15-16H2,1-9H3/t20-,21+,23-/m1/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide has a molecular weight of 421.70 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide is sourced from PubChem (CID 135055008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).