N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide

C26H39NO2Si — CID 157184514

IUPACN-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C26H39NO2Si/c1-21(18-23-14-10-8-11-15-23)25(29-30(6,7)26(3,4)5)20-27(22(2)28)19-24-16-12-9-13-17-24/h8-17,21,25H,18-20H2,1-7H3/t21-,25-/m0/s1
InChIKeyHYBJFXGRFKDPPX-OFVILXPXSA-N
MW425.69 g/mol
LogP6.30
Rot. Bonds9

About N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide

N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide (PubChem CID 157184514) has the molecular formula C26H39NO2Si and a molecular weight of 425.69 g/mol. Its IUPAC name is N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide
PubChem CID157184514
Molecular FormulaC26H39NO2Si
Molecular Weight425.69 g/mol
Exact Mass425.28
IUPAC NameN-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C26H39NO2Si/c1-21(18-23-14-10-8-11-15-23)25(29-30(6,7)26(3,4)5)20-27(22(2)28)19-24-16-12-9-13-17-24/h8-17,21,25H,18-20H2,1-7H3/t21-,25-/m0/s1
InChIKeyHYBJFXGRFKDPPX-OFVILXPXSA-N
XLogP6.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.69
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide?
The IUPAC name of N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide (CID 157184514) is N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide?
The canonical SMILES for N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide is CC(=O)N(Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide?
The InChIKey is HYBJFXGRFKDPPX-OFVILXPXSA-N. The full InChI is InChI=1S/C26H39NO2Si/c1-21(18-23-14-10-8-11-15-23)25(29-30(6,7)26(3,4)5)20-27(22(2)28)19-24-16-12-9-13-17-24/h8-17,21,25H,18-20H2,1-7H3/t21-,25-/m0/s1.
What are the key properties of N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide?
N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide has a molecular weight of 425.69 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-phenylbutyl]acetamide is sourced from PubChem (CID 157184514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).