2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

C20H28BrN3O2 — CID 46431425

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCC(C)N1CC(C)OC(C)C1
InChIInChI=1S/C20H28BrN3O2/c1-12(24-10-13(2)26-14(3)11-24)9-22-20(25)8-17-15(4)23-19-6-5-16(21)7-18(17)19/h5-7,12-14,23H,8-11H2,1-4H3,(H,22,25)
InChIKeyNKXSXMYJNYOSLD-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.40
Rot. Bonds5

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (PubChem CID 46431425) has the molecular formula C20H28BrN3O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
PubChem CID46431425
Molecular FormulaC20H28BrN3O2
Molecular Weight422.37 g/mol
Exact Mass421.14
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCC(C)N1CC(C)OC(C)C1
InChIInChI=1S/C20H28BrN3O2/c1-12(24-10-13(2)26-14(3)11-24)9-22-20(25)8-17-15(4)23-19-6-5-16(21)7-18(17)19/h5-7,12-14,23H,8-11H2,1-4H3,(H,22,25)
InChIKeyNKXSXMYJNYOSLD-UHFFFAOYSA-N
XLogP3.40
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-hydroxy-5-methylbenzamide
CID 46414109
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 46450419
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 46480844

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (CID 46431425) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC(C)N1CC(C)OC(C)C1.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The InChIKey is NKXSXMYJNYOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3O2/c1-12(24-10-13(2)26-14(3)11-24)9-22-20(25)8-17-15(4)23-19-6-5-16(21)7-18(17)19/h5-7,12-14,23H,8-11H2,1-4H3,(H,22,25).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide has a molecular weight of 422.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is sourced from PubChem (CID 46431425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).