(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide

C27H39FN2O3Si — CID 59335324

About (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 59335324) has the molecular formula C27H39FN2O3Si and a molecular weight of 486.70 g/mol. Its IUPAC name is (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 59335324
• Molecular Formula: C27H39FN2O3Si
• Molecular Weight: 486.70 g/mol
• Exact Mass: 486.27
• IUPAC Name: (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: CN(C)C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
• InChI: InChI=1S/C27H39FN2O3Si/c1-26(2,3)34(6,7)33-19-27(25(31)30(4)5)17-16-24(29-27)20-12-14-22(15-13-20)32-18-21-10-8-9-11-23(21)28/h8-15,24,29H,16-19H2,1-7H3/t24-,27-/m1/s1
• InChIKey: ZTGSGOMXMAMMBR-SHQCIBLASA-N
• XLogP: 5.68
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.70
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 59335324) is (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.

What is the InChIKey of (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is ZTGSGOMXMAMMBR-SHQCIBLASA-N. The full InChI is InChI=1S/C27H39FN2O3Si/c1-26(2,3)34(6,7)33-19-27(25(31)30(4)5)17-16-24(29-27)20-12-14-22(15-13-20)32-18-21-10-8-9-11-23(21)28/h8-15,24,29H,16-19H2,1-7H3/t24-,27-/m1/s1.

What are the key properties of (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide?

(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 486.70 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[4-[(2-fluorophenyl)methoxy]phenyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59335324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).