(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C25H33NO3Si — CID 153288911

IUPAC(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCON(C)C(=O)C1[C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-16-21-22(17-18)23(21)24(27)26(4)28-5/h6-15,18,21-23H,16-17H2,1-5H3/t18?,21-,22+,23?
InChIKeyYCCWTZFODQYAMS-FKANHJMESA-N
MW423.63 g/mol
LogP3.61
Rot. Bonds6

About (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 153288911) has the molecular formula C25H33NO3Si and a molecular weight of 423.63 g/mol. Its IUPAC name is (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID153288911
Molecular FormulaC25H33NO3Si
Molecular Weight423.63 g/mol
Exact Mass423.22
IUPAC Name(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCON(C)C(=O)C1[C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-16-21-22(17-18)23(21)24(27)26(4)28-5/h6-15,18,21-23H,16-17H2,1-5H3/t18?,21-,22+,23?
InChIKeyYCCWTZFODQYAMS-FKANHJMESA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 153288911) is (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CON(C)C(=O)C1[C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12.
What is the InChIKey of (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is YCCWTZFODQYAMS-FKANHJMESA-N. The full InChI is InChI=1S/C25H33NO3Si/c1-25(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-16-21-22(17-18)23(21)24(27)26(4)28-5/h6-15,18,21-23H,16-17H2,1-5H3/t18?,21-,22+,23?.
What are the key properties of (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 423.63 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 153288911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).