1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine

C29H42N2O3Si — CID 89421765

IUPAC1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine
SMILESCCC/C(=N\Cc1ccc(OC)cc1OC)c1ccc2c(c1)cc(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C29H42N2O3Si/c1-10-11-26(30-19-22-12-14-25(32-6)18-28(22)33-7)21-13-15-27-23(16-21)17-24(31(27)5)20-34-35(8,9)29(2,3)4/h12-18H,10-11,19-20H2,1-9H3/b30-26+
InChIKeyIPCRFGFTKUNSFR-URGPHPNLSA-N
MW494.75 g/mol
LogP7.51
Rot. Bonds10

About 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine (PubChem CID 89421765) has the molecular formula C29H42N2O3Si and a molecular weight of 494.75 g/mol. Its IUPAC name is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine.

Molecular Properties

Compound Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine
PubChem CID89421765
Molecular FormulaC29H42N2O3Si
Molecular Weight494.75 g/mol
Exact Mass494.30
IUPAC Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine
SMILESCCC/C(=N\Cc1ccc(OC)cc1OC)c1ccc2c(c1)cc(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C29H42N2O3Si/c1-10-11-26(30-19-22-12-14-25(32-6)18-28(22)33-7)21-13-15-27-23(16-21)17-24(31(27)5)20-34-35(8,9)29(2,3)4/h12-18H,10-11,19-20H2,1-9H3/b30-26+
InChIKeyIPCRFGFTKUNSFR-URGPHPNLSA-N
XLogP7.51
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine
CID 71282066
tert-butyl 8-[N-[(2,4-dimethoxyphenyl)methyl]-C-propylcarbonimidoyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 89422984
methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-10,14-dimethyl-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-4-carboxylate
CID 172692778
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol
CID 71285552
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one
CID 71285516
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187587
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one
CID 71284289
15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one
CID 172733671
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine?
The IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine (CID 89421765) is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine.
What is the SMILES notation for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine?
The canonical SMILES for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine is CCC/C(=N\Cc1ccc(OC)cc1OC)c1ccc2c(c1)cc(CO[Si](C)(C)C(C)(C)C)n2C.
What is the InChIKey of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine?
The InChIKey is IPCRFGFTKUNSFR-URGPHPNLSA-N. The full InChI is InChI=1S/C29H42N2O3Si/c1-10-11-26(30-19-22-12-14-25(32-6)18-28(22)33-7)21-13-15-27-23(16-21)17-24(31(27)5)20-34-35(8,9)29(2,3)4/h12-18H,10-11,19-20H2,1-9H3/b30-26+.
What are the key properties of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine?
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine has a molecular weight of 494.75 g/mol, XLogP of 7.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine is sourced from PubChem (CID 89421765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).