N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide

C23H29F2N3O4Si — CID 159545861

IUPACN-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESC[Si](C)(C)c1c(F)cc(CC(=O)C(NC(=O)Cn2cnccc2=O)C2CCOCC2)cc1F
InChIInChI=1S/C23H29F2N3O4Si/c1-33(2,3)23-17(24)10-15(11-18(23)25)12-19(29)22(16-5-8-32-9-6-16)27-20(30)13-28-14-26-7-4-21(28)31/h4,7,10-11,14,16,22H,5-6,8-9,12-13H2,1-3H3,(H,27,30)
InChIKeyMEUFCSWCOLMAMA-UHFFFAOYSA-N
MW477.58 g/mol
LogP1.79
Rot. Bonds8

About N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide

N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 159545861) has the molecular formula C23H29F2N3O4Si and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID159545861
Molecular FormulaC23H29F2N3O4Si
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC NameN-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESC[Si](C)(C)c1c(F)cc(CC(=O)C(NC(=O)Cn2cnccc2=O)C2CCOCC2)cc1F
InChIInChI=1S/C23H29F2N3O4Si/c1-33(2,3)23-17(24)10-15(11-18(23)25)12-19(29)22(16-5-8-32-9-6-16)27-20(30)13-28-14-26-7-4-21(28)31/h4,7,10-11,14,16,22H,5-6,8-9,12-13H2,1-3H3,(H,27,30)
InChIKeyMEUFCSWCOLMAMA-UHFFFAOYSA-N
XLogP1.79
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159160294
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-[(1R)-3-(4-tert-butyl-3-chlorophenyl)-1-(oxan-4-yl)-2-oxopropyl]-3,3,3-trifluoropropanamide
CID 147785989
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462
(3S)-3-(methylamino)-4-oxo-5-(6-oxopyrimidin-1-yl)pentanoic acid
CID 59947733
2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid
CID 138034429
(2S)-N-[(1R)-3-(4-tert-butyl-3-chlorophenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-hydroxypropanamide
CID 157118808
3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
CID 63905590
(3R)-N-[(1S)-3-(4-tert-butyl-3-chlorophenyl)-1-(oxan-4-yl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 159498416

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 159545861) is N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide is C[Si](C)(C)c1c(F)cc(CC(=O)C(NC(=O)Cn2cnccc2=O)C2CCOCC2)cc1F.
What is the InChIKey of N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is MEUFCSWCOLMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O4Si/c1-33(2,3)23-17(24)10-15(11-18(23)25)12-19(29)22(16-5-8-32-9-6-16)27-20(30)13-28-14-26-7-4-21(28)31/h4,7,10-11,14,16,22H,5-6,8-9,12-13H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 477.58 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-4-trimethylsilylphenyl)-1-(oxan-4-yl)-2-oxopropyl]-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 159545861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).