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

C24H31FN2O4Si — CID 162043493

IUPAC(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)N2CC[C@@H](O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H31FN2O4Si/c1-31-19-8-6-17(7-9-19)23(26-24(30)27-12-11-18(28)15-27)21(29)14-16-5-10-22(20(25)13-16)32(2,3)4/h5-10,13,18,23,28H,11-12,14-15H2,1-4H3,(H,26,30)/t18-,23-/m1/s1
InChIKeyYXOZIOTVJLZFMH-WZONZLPQSA-N
MW458.61 g/mol
LogP3.01
Rot. Bonds7

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

(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 162043493) has the molecular formula C24H31FN2O4Si and a molecular weight of 458.61 g/mol. Its IUPAC name is (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID162043493
Molecular FormulaC24H31FN2O4Si
Molecular Weight458.61 g/mol
Exact Mass458.20
IUPAC Name(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)N2CC[C@@H](O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H31FN2O4Si/c1-31-19-8-6-17(7-9-19)23(26-24(30)27-12-11-18(28)15-27)21(29)14-16-5-10-22(20(25)13-16)32(2,3)4/h5-10,13,18,23,28H,11-12,14-15H2,1-4H3,(H,26,30)/t18-,23-/m1/s1
InChIKeyYXOZIOTVJLZFMH-WZONZLPQSA-N
XLogP3.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.01
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

N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 140781112
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
(3S)-N-[2-[3-fluoro-4-(pentamethyl-λ6-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 121321363
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
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
(3S)-3-hydroxy-N-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 100693227
(3S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 97033127
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 71922615
N-[2-[3,5-difluoro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxyazetidine-1-carboxamide
CID 129055149
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide (CID 162043493) is (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide is COc1ccc([C@@H](NC(=O)N2CC[C@@H](O)C2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is YXOZIOTVJLZFMH-WZONZLPQSA-N. The full InChI is InChI=1S/C24H31FN2O4Si/c1-31-19-8-6-17(7-9-19)23(26-24(30)27-12-11-18(28)15-27)21(29)14-16-5-10-22(20(25)13-16)32(2,3)4/h5-10,13,18,23,28H,11-12,14-15H2,1-4H3,(H,26,30)/t18-,23-/m1/s1.
What are the key properties of (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 162043493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).