3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide

C20H30BrN3O2Si — CID 59324193

IUPAC3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30BrN3O2Si/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25)/b22-18-
InChIKeyBESCNOLPQRVIQI-PYCFMQQDSA-N
MW452.47 g/mol
LogP4.68
Rot. Bonds7

About 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide

3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide (PubChem CID 59324193) has the molecular formula C20H30BrN3O2Si and a molecular weight of 452.47 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide
PubChem CID59324193
Molecular FormulaC20H30BrN3O2Si
Molecular Weight452.47 g/mol
Exact Mass451.13
IUPAC Name3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30BrN3O2Si/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25)/b22-18-
InChIKeyBESCNOLPQRVIQI-PYCFMQQDSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide
CID 59324195
(2Z)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide
CID 90898697
(2E)-3-(5-bromo-1H-indol-3-yl)-N-[5-[5-[[(2E)-3-(5-bromo-1H-indol-3-yl)-2-trityloxyiminopropanoyl]amino]pentyldisulfanyl]pentyl]-2-trityloxyiminopropanamide
CID 71512865
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)-2-methylpropanoate
CID 90842063
N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
CID 20642760
3-(5-bromo-1H-indol-3-yl)-2-imino-N-(5-sulfanylpentyl)propanamide
CID 89233953
(2E)-3-(5-bromo-1H-indol-3-yl)-2-phenylmethoxyiminopropanoic acid
CID 71513099
4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
CID 24853704
2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 71285327
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide (CID 59324193) is 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide is C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide?
The InChIKey is BESCNOLPQRVIQI-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H30BrN3O2Si/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25)/b22-18-.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide?
3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide has a molecular weight of 452.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide is sourced from PubChem (CID 59324193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).