(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide

C43H58N2O4Si2 — CID 142492764

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide
SMILESC[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H58N2O4Si2/c1-34(48-50(42(3,4)5,36-22-13-9-14-23-36)37-24-15-10-16-25-37)32-40(46)44-30-21-31-45-41(47)33-35(2)49-51(43(6,7)8,38-26-17-11-18-27-38)39-28-19-12-20-29-39/h9-20,22-29,34-35H,21,30-33H2,1-8H3,(H,44,46)(H,45,47)/t34-,35-/m1/s1
InChIKeyACYWKUWUDYSVAG-VSJLXWSYSA-N
MW723.12 g/mol
LogP6.32
Rot. Bonds16

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide (PubChem CID 142492764) has the molecular formula C43H58N2O4Si2 and a molecular weight of 723.12 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide
PubChem CID142492764
Molecular FormulaC43H58N2O4Si2
Molecular Weight723.12 g/mol
Exact Mass722.39
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide
SMILESC[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H58N2O4Si2/c1-34(48-50(42(3,4)5,36-22-13-9-14-23-36)37-24-15-10-16-25-37)32-40(46)44-30-21-31-45-41(47)33-35(2)49-51(43(6,7)8,38-26-17-11-18-27-38)39-28-19-12-20-29-39/h9-20,22-29,34-35H,21,30-33H2,1-8H3,(H,44,46)(H,45,47)/t34-,35-/m1/s1
InChIKeyACYWKUWUDYSVAG-VSJLXWSYSA-N
XLogP6.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.12
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide (CID 142492764) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide is C[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?
The InChIKey is ACYWKUWUDYSVAG-VSJLXWSYSA-N. The full InChI is InChI=1S/C43H58N2O4Si2/c1-34(48-50(42(3,4)5,36-22-13-9-14-23-36)37-24-15-10-16-25-37)32-40(46)44-30-21-31-45-41(47)33-35(2)49-51(43(6,7)8,38-26-17-11-18-27-38)39-28-19-12-20-29-39/h9-20,22-29,34-35H,21,30-33H2,1-8H3,(H,44,46)(H,45,47)/t34-,35-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide has a molecular weight of 723.12 g/mol, XLogP of 6.32, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide is sourced from PubChem (CID 142492764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).