(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one

C26H37NO3Si — CID 90304976

IUPAC(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1-c1cccc(C)c1
InChIInChI=1S/C26H37NO3Si/c1-19-9-8-10-21(15-19)23-16-20(11-13-24(23)29-5)17-27-22(12-14-25(27)28)18-30-31(6,7)26(2,3)4/h8-11,13,15-16,22H,12,14,17-18H2,1-7H3/t22-/m1/s1
InChIKeyTZUOOAQXBNNBHH-JOCHJYFZSA-N
MW439.67 g/mol
LogP6.18
Rot. Bonds7

About (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 90304976) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID90304976
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1-c1cccc(C)c1
InChIInChI=1S/C26H37NO3Si/c1-19-9-8-10-21(15-19)23-16-20(11-13-24(23)29-5)17-27-22(12-14-25(27)28)18-30-31(6,7)26(2,3)4/h8-11,13,15-16,22H,12,14,17-18H2,1-7H3/t22-/m1/s1
InChIKeyTZUOOAQXBNNBHH-JOCHJYFZSA-N
XLogP6.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.67
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one (CID 90304976) is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one is COc1ccc(CN2C(=O)CC[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1-c1cccc(C)c1.
What is the InChIKey of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is TZUOOAQXBNNBHH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-19-9-8-10-21(15-19)23-16-20(11-13-24(23)29-5)17-27-22(12-14-25(27)28)18-30-31(6,7)26(2,3)4/h8-11,13,15-16,22H,12,14,17-18H2,1-7H3/t22-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 439.67 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 90304976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).