(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide

C24H29FN2O4Si — CID 149108117

IUPAC(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H29FN2O4Si/c1-31-18-8-6-16(7-9-18)23(27-24(30)17-13-22(29)26-14-17)20(28)12-15-5-10-21(19(25)11-15)32(2,3)4/h5-11,17,23H,12-14H2,1-4H3,(H,26,29)(H,27,30)/t17-,23+/m0/s1
InChIKeyQWDSBCGIXGSDKK-GAJHUEQPSA-N
MW456.59 g/mol
LogP2.48
Rot. Bonds8

About (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 149108117) has the molecular formula C24H29FN2O4Si and a molecular weight of 456.59 g/mol. Its IUPAC name is (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID149108117
Molecular FormulaC24H29FN2O4Si
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H29FN2O4Si/c1-31-18-8-6-16(7-9-18)23(27-24(30)17-13-22(29)26-14-17)20(28)12-15-5-10-21(19(25)11-15)32(2,3)4/h5-11,17,23H,12-14H2,1-4H3,(H,26,29)(H,27,30)/t17-,23+/m0/s1
InChIKeyQWDSBCGIXGSDKK-GAJHUEQPSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
(3S)-N-[3-(4-tert-butyl-3-fluorophenyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 160832405
2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
CID 162055758
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
CID 159432139
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
CID 152913842
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
CID 152977183
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
CID 159500159
N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
CID 140781282
(3S)-N-[2-[4-(2,2-dimethylpropyl)-3-fluoroanilino]-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 121316714
N-[3-(4-methoxyphenyl)-1-[[1-(oxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 123163769

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide (CID 149108117) is (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QWDSBCGIXGSDKK-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H29FN2O4Si/c1-31-18-8-6-16(7-9-18)23(27-24(30)17-13-22(29)26-14-17)20(28)12-15-5-10-21(19(25)11-15)32(2,3)4/h5-11,17,23H,12-14H2,1-4H3,(H,26,29)(H,27,30)/t17-,23+/m0/s1.
What are the key properties of (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 149108117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).