2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide

C21H27BrN2O2 — CID 11502625

IUPAC2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
SMILESC=CC(C)(C)[C@@]1(CC(=O)NC)C(=O)N(CC=C(C)C)c2cc(Br)ccc21
InChIInChI=1S/C21H27BrN2O2/c1-7-20(4,5)21(13-18(25)23-6)16-9-8-15(22)12-17(16)24(19(21)26)11-10-14(2)3/h7-10,12H,1,11,13H2,2-6H3,(H,23,25)/t21-/m1/s1
InChIKeySHUHZPJJIJGGRD-OAQYLSRUSA-N
MW419.36 g/mol
LogP4.35
Rot. Bonds6

About 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide

2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 11502625) has the molecular formula C21H27BrN2O2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID11502625
Molecular FormulaC21H27BrN2O2
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
SMILESC=CC(C)(C)[C@@]1(CC(=O)NC)C(=O)N(CC=C(C)C)c2cc(Br)ccc21
InChIInChI=1S/C21H27BrN2O2/c1-7-20(4,5)21(13-18(25)23-6)16-9-8-15(22)12-17(16)24(19(21)26)11-10-14(2)3/h7-10,12H,1,11,13H2,2-6H3,(H,23,25)/t21-/m1/s1
InChIKeySHUHZPJJIJGGRD-OAQYLSRUSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide (CID 11502625) is 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide is C=CC(C)(C)[C@@]1(CC(=O)NC)C(=O)N(CC=C(C)C)c2cc(Br)ccc21.
What is the InChIKey of 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is SHUHZPJJIJGGRD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27BrN2O2/c1-7-20(4,5)21(13-18(25)23-6)16-9-8-15(22)12-17(16)24(19(21)26)11-10-14(2)3/h7-10,12H,1,11,13H2,2-6H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 419.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-bromo-3-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 11502625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).