1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one

C24H33NO5Si — CID 160523814

IUPAC1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
SMILESCOc1cc(N2CCC(Oc3ccc(C)cc3)C2=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-18-6-9-20(10-7-18)30-22-12-13-25(24(22)26)19-8-11-21(23(16-19)27-2)29-17-28-14-15-31(3,4)5/h6-11,16,22H,12-15,17H2,1-5H3
InChIKeyQUQCGAHOLFLMMZ-UHFFFAOYSA-N
MW443.62 g/mol
LogP4.88
Rot. Bonds10

About 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one

1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one (PubChem CID 160523814) has the molecular formula C24H33NO5Si and a molecular weight of 443.62 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
PubChem CID160523814
Molecular FormulaC24H33NO5Si
Molecular Weight443.62 g/mol
Exact Mass443.21
IUPAC Name1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
SMILESCOc1cc(N2CCC(Oc3ccc(C)cc3)C2=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-18-6-9-20(10-7-18)30-22-12-13-25(24(22)26)19-8-11-21(23(16-19)27-2)29-17-28-14-15-31(3,4)5/h6-11,16,22H,12-15,17H2,1-5H3
InChIKeyQUQCGAHOLFLMMZ-UHFFFAOYSA-N
XLogP4.88
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one (CID 160523814) is 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one is COc1cc(N2CCC(Oc3ccc(C)cc3)C2=O)ccc1OCOCC[Si](C)(C)C.
What is the InChIKey of 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one?
The InChIKey is QUQCGAHOLFLMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5Si/c1-18-6-9-20(10-7-18)30-22-12-13-25(24(22)26)19-8-11-21(23(16-19)27-2)29-17-28-14-15-31(3,4)5/h6-11,16,22H,12-15,17H2,1-5H3.
What are the key properties of 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one?
1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one has a molecular weight of 443.62 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one is sourced from PubChem (CID 160523814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).