N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide

C27H36FNO4Si — CID 152977183

IUPACN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
SMILESCOCc1ccc([C@@H](NC(=O)CC2CCOCC2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C27H36FNO4Si/c1-32-18-20-5-8-22(9-6-20)27(29-26(31)17-19-11-13-33-14-12-19)24(30)16-21-7-10-25(23(28)15-21)34(2,3)4/h5-10,15,19,27H,11-14,16-18H2,1-4H3,(H,29,31)/t27-/m1/s1
InChIKeyUTQSDNZUAWRKPM-HHHXNRCGSA-N
MW485.67 g/mol
LogP4.30
Rot. Bonds10

About N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide

N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide (PubChem CID 152977183) has the molecular formula C27H36FNO4Si and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
PubChem CID152977183
Molecular FormulaC27H36FNO4Si
Molecular Weight485.67 g/mol
Exact Mass485.24
IUPAC NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
SMILESCOCc1ccc([C@@H](NC(=O)CC2CCOCC2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C27H36FNO4Si/c1-32-18-20-5-8-22(9-6-20)27(29-26(31)17-19-11-13-33-14-12-19)24(30)16-21-7-10-25(23(28)15-21)34(2,3)4/h5-10,15,19,27H,11-14,16-18H2,1-4H3,(H,29,31)/t27-/m1/s1
InChIKeyUTQSDNZUAWRKPM-HHHXNRCGSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide (CID 152977183) is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide is COCc1ccc([C@@H](NC(=O)CC2CCOCC2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide?
The InChIKey is UTQSDNZUAWRKPM-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H36FNO4Si/c1-32-18-20-5-8-22(9-6-20)27(29-26(31)17-19-11-13-33-14-12-19)24(30)16-21-7-10-25(23(28)15-21)34(2,3)4/h5-10,15,19,27H,11-14,16-18H2,1-4H3,(H,29,31)/t27-/m1/s1.
What are the key properties of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide?
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide has a molecular weight of 485.67 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 152977183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).