2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane

C30H39BrClN3O4Si — CID 68957752

IUPAC2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane
SMILESCC1([C@@H]2N(CC(N)=O)C(=O)C[C@H](c3cccc(Cl)c3)[C@@]23C(=O)Nc2cc(Br)ccc23)CC1.COCC[Si](C)(C)C
InChIInChI=1S/C24H23BrClN3O3.C6H16OSi/c1-23(7-8-23)21-24(16-6-5-14(25)10-18(16)28-22(24)32)17(13-3-2-4-15(26)9-13)11-20(31)29(21)12-19(27)30;1-7-5-6-8(2,3)4/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H2,27,30)(H,28,32);5-6H2,1-4H3/t17-,21+,24-;/m1./s1
InChIKeyXGPWWYDKAPEWAZ-AKXRTMHMSA-N
MW649.10 g/mol
LogP5.93
Rot. Bonds7

About 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane

2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane (PubChem CID 68957752) has the molecular formula C30H39BrClN3O4Si and a molecular weight of 649.10 g/mol. Its IUPAC name is 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane
PubChem CID68957752
Molecular FormulaC30H39BrClN3O4Si
Molecular Weight649.10 g/mol
Exact Mass647.16
IUPAC Name2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane
SMILESCC1([C@@H]2N(CC(N)=O)C(=O)C[C@H](c3cccc(Cl)c3)[C@@]23C(=O)Nc2cc(Br)ccc23)CC1.COCC[Si](C)(C)C
InChIInChI=1S/C24H23BrClN3O3.C6H16OSi/c1-23(7-8-23)21-24(16-6-5-14(25)10-18(16)28-22(24)32)17(13-3-2-4-15(26)9-13)11-20(31)29(21)12-19(27)30;1-7-5-6-8(2,3)4/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H2,27,30)(H,28,32);5-6H2,1-4H3/t17-,21+,24-;/m1./s1
InChIKeyXGPWWYDKAPEWAZ-AKXRTMHMSA-N
XLogP5.93
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.10
LogP ≤ 55.93
H-Bond Donors ≤ 52
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 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane?
The IUPAC name of 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane (CID 68957752) is 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane.
What is the SMILES notation for 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane?
The canonical SMILES for 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane is CC1([C@@H]2N(CC(N)=O)C(=O)C[C@H](c3cccc(Cl)c3)[C@@]23C(=O)Nc2cc(Br)ccc23)CC1.COCC[Si](C)(C)C.
What is the InChIKey of 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane?
The InChIKey is XGPWWYDKAPEWAZ-AKXRTMHMSA-N. The full InChI is InChI=1S/C24H23BrClN3O3.C6H16OSi/c1-23(7-8-23)21-24(16-6-5-14(25)10-18(16)28-22(24)32)17(13-3-2-4-15(26)9-13)11-20(31)29(21)12-19(27)30;1-7-5-6-8(2,3)4/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H2,27,30)(H,28,32);5-6H2,1-4H3/t17-,21+,24-;/m1./s1.
What are the key properties of 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane?
2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane has a molecular weight of 649.10 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'S,3S,4'R)-6-bromo-4'-(3-chlorophenyl)-2'-(1-methylcyclopropyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide;2-methoxyethyl(trimethyl)silane is sourced from PubChem (CID 68957752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).