3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane

C38H48Cl2FN3O5Si — CID 87658868

IUPAC3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane
SMILESCOC(C)[Si](C)(C)C.Cc1ccc(F)cc1[C@H]1CC(=O)N(CCC(=O)NOC(C)(C)C)[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C32H32Cl2FN3O4.C6H16OSi/c1-18-8-10-22(35)16-23(18)25-17-28(40)38(13-12-27(39)37-42-31(2,3)4)29(19-6-5-7-20(33)14-19)32(25)24-11-9-21(34)15-26(24)36-30(32)41;1-6(7-2)8(3,4)5/h5-11,14-16,25,29H,12-13,17H2,1-4H3,(H,36,41)(H,37,39);6H,1-5H3/t25-,29+,32-;/m1./s1
InChIKeyIGGZDLGVDVHACQ-XEVWPTGLSA-N
MW744.81 g/mol
LogP8.52
Rot. Bonds8

About 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane

3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane (PubChem CID 87658868) has the molecular formula C38H48Cl2FN3O5Si and a molecular weight of 744.81 g/mol. Its IUPAC name is 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane
PubChem CID87658868
Molecular FormulaC38H48Cl2FN3O5Si
Molecular Weight744.81 g/mol
Exact Mass743.27
IUPAC Name3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane
SMILESCOC(C)[Si](C)(C)C.Cc1ccc(F)cc1[C@H]1CC(=O)N(CCC(=O)NOC(C)(C)C)[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C32H32Cl2FN3O4.C6H16OSi/c1-18-8-10-22(35)16-23(18)25-17-28(40)38(13-12-27(39)37-42-31(2,3)4)29(19-6-5-7-20(33)14-19)32(25)24-11-9-21(34)15-26(24)36-30(32)41;1-6(7-2)8(3,4)5/h5-11,14-16,25,29H,12-13,17H2,1-4H3,(H,36,41)(H,37,39);6H,1-5H3/t25-,29+,32-;/m1./s1
InChIKeyIGGZDLGVDVHACQ-XEVWPTGLSA-N
XLogP8.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.81
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane?
The IUPAC name of 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane (CID 87658868) is 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane.
What is the SMILES notation for 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane?
The canonical SMILES for 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane is COC(C)[Si](C)(C)C.Cc1ccc(F)cc1[C@H]1CC(=O)N(CCC(=O)NOC(C)(C)C)[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane?
The InChIKey is IGGZDLGVDVHACQ-XEVWPTGLSA-N. The full InChI is InChI=1S/C32H32Cl2FN3O4.C6H16OSi/c1-18-8-10-22(35)16-23(18)25-17-28(40)38(13-12-27(39)37-42-31(2,3)4)29(19-6-5-7-20(33)14-19)32(25)24-11-9-21(34)15-26(24)36-30(32)41;1-6(7-2)8(3,4)5/h5-11,14-16,25,29H,12-13,17H2,1-4H3,(H,36,41)(H,37,39);6H,1-5H3/t25-,29+,32-;/m1./s1.
What are the key properties of 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane?
3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane has a molecular weight of 744.81 g/mol, XLogP of 8.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane is sourced from PubChem (CID 87658868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).