(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide

C24H39FN2O3Si — CID 70365570

IUPAC(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(\F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/b21-14-/t22-/m0/s1
InChIKeyZKFBEDVMTMDOBU-BHJKQYKASA-N
MW450.67 g/mol
LogP4.90
Rot. Bonds13

About (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide

(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide (PubChem CID 70365570) has the molecular formula C24H39FN2O3Si and a molecular weight of 450.67 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
PubChem CID70365570
Molecular FormulaC24H39FN2O3Si
Molecular Weight450.67 g/mol
Exact Mass450.27
IUPAC Name(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(\F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/b21-14-/t22-/m0/s1
InChIKeyZKFBEDVMTMDOBU-BHJKQYKASA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide (CID 70365570) is (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide is CCCC(C)(C)[Si](C)(C)OCC/C=C(\F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The InChIKey is ZKFBEDVMTMDOBU-BHJKQYKASA-N. The full InChI is InChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/b21-14-/t22-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
(2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide has a molecular weight of 450.67 g/mol, XLogP of 4.90, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide is sourced from PubChem (CID 70365570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).