N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide

C34H40FN3O4Si — CID 23846047

About N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23846047) has the molecular formula C34H40FN3O4Si and a molecular weight of 601.80 g/mol. Its IUPAC name is N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23846047
• Molecular Formula: C34H40FN3O4Si
• Molecular Weight: 601.80 g/mol
• Exact Mass: 601.28
• IUPAC Name: N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@H]1CCc1cccc(-n2ncc3ccccc3c2=O)c1
• InChI: InChI=1S/C34H40FN3O4Si/c1-24-30(17-16-25-12-9-14-28(20-25)38-34(41)29-15-8-7-13-27(29)22-36-38)42-31(33(24)43(2,3)35)21-32(40)37(18-19-39)23-26-10-5-4-6-11-26/h4-15,20,22,24,30-31,33,39H,16-19,21,23H2,1-3H3/t24-,30+,31-,33+/m0/s1
• InChIKey: BMOLYUINMVOAQR-XFZVPMLWSA-N
• XLogP: 5.68
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.80
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide (CID 23846047) is N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@H]1CCc1cccc(-n2ncc3ccccc3c2=O)c1.

What is the InChIKey of N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is BMOLYUINMVOAQR-XFZVPMLWSA-N. The full InChI is InChI=1S/C34H40FN3O4Si/c1-24-30(17-16-25-12-9-14-28(20-25)38-34(41)29-15-8-7-13-27(29)22-36-38)42-31(33(24)43(2,3)35)21-32(40)37(18-19-39)23-26-10-5-4-6-11-26/h4-15,20,22,24,30-31,33,39H,16-19,21,23H2,1-3H3/t24-,30+,31-,33+/m0/s1.

What are the key properties of N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide?

N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 601.80 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(1-oxophthalazin-2-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23846047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).