2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

C22H26BrN3O2 — CID 46429632

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)N(C)C)c1
InChIInChI=1S/C22H26BrN3O2/c1-14-18(19-11-16(23)8-9-20(19)25-14)12-22(27)24-13-21(26(2)3)15-6-5-7-17(10-15)28-4/h5-11,21,25H,12-13H2,1-4H3,(H,24,27)
InChIKeyHBCSZZBTFDZKGN-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.21
Rot. Bonds7

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 46429632) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID46429632
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)N(C)C)c1
InChIInChI=1S/C22H26BrN3O2/c1-14-18(19-11-16(23)8-9-20(19)25-14)12-22(27)24-13-21(26(2)3)15-6-5-7-17(10-15)28-4/h5-11,21,25H,12-13H2,1-4H3,(H,24,27)
InChIKeyHBCSZZBTFDZKGN-UHFFFAOYSA-N
XLogP4.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 46445607
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51251248
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 46429632) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(C(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)N(C)C)c1.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is HBCSZZBTFDZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-14-18(19-11-16(23)8-9-20(19)25-14)12-22(27)24-13-21(26(2)3)15-6-5-7-17(10-15)28-4/h5-11,21,25H,12-13H2,1-4H3,(H,24,27).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 444.37 g/mol, XLogP of 4.21, 7 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-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46429632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).