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'}

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

Related Compounds

(3R)-1-[4-(2-cyclopropylethoxy)-3-methoxyphenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 144585819
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-(4-iodophenoxy)pyrrolidin-2-one
CID 126651604
1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 118282533
(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one
CID 73387452
N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide
CID 90004706
3-[4-(3-chloro-4-pyridinyl)phenoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrrolidin-2-one
CID 118282517
4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
CID 58580238
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
1-(4-methylphenyl)-3-(4-methylsulfonylphenoxy)pyrrolidin-2-one
CID 122137382
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one
CID 118284297
(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 167004325
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 73387814

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).