ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate

C32H48N2O3Si — CID 57486751

IUPACethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cccc2c1cc(C)n2Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H48N2O3Si/c1-11-36-32(35)19-33-29-13-12-14-30-28(29)17-25(10)34(30)20-26-15-16-31(27(18-26)21(2)3)37-38(22(4)5,23(6)7)24(8)9/h12-18,21-24,33H,11,19-20H2,1-10H3
InChIKeyGOYUMVNHLYIUHJ-UHFFFAOYSA-N
MW536.83 g/mol
LogP8.65
Rot. Bonds12

About ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate

ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate (PubChem CID 57486751) has the molecular formula C32H48N2O3Si and a molecular weight of 536.83 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate
PubChem CID57486751
Molecular FormulaC32H48N2O3Si
Molecular Weight536.83 g/mol
Exact Mass536.34
IUPAC Nameethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cccc2c1cc(C)n2Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H48N2O3Si/c1-11-36-32(35)19-33-29-13-12-14-30-28(29)17-25(10)34(30)20-26-15-16-31(27(18-26)21(2)3)37-38(22(4)5,23(6)7)24(8)9/h12-18,21-24,33H,11,19-20H2,1-10H3
InChIKeyGOYUMVNHLYIUHJ-UHFFFAOYSA-N
XLogP8.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.83
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate with MolForge

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Related Compounds

2-[2-methyl-1-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]indol-4-yl]oxyacetic acid
CID 68910046
ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
CID 10049503
methyl 2-(1-benzyl-2-methylindol-4-yl)oxy-4-methylpentanoate
CID 59170301
benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
CID 10573011
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 2-(2-ethylanilino)acetate
CID 28583397
ethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709
dibenzyl 2-[(1-benzyl-2-methylindol-4-yl)methyl]propanedioate
CID 71193811
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
CID 10706801
2-(1-benzyl-2-methylindol-4-yl)oxy-2-fluorobutanoic acid
CID 158658145
ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate
CID 14368914
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate (CID 57486751) is ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate is CCOC(=O)CNc1cccc2c1cc(C)n2Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(C(C)C)c1.
What is the InChIKey of ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate?
The InChIKey is GOYUMVNHLYIUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O3Si/c1-11-36-32(35)19-33-29-13-12-14-30-28(29)17-25(10)34(30)20-26-15-16-31(27(18-26)21(2)3)37-38(22(4)5,23(6)7)24(8)9/h12-18,21-24,33H,11,19-20H2,1-10H3.
What are the key properties of ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate?
ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate has a molecular weight of 536.83 g/mol, XLogP of 8.65, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-1-[[3-propan-2-yl-4-tri(propan-2-yl)silyloxyphenyl]methyl]indol-4-yl]amino]acetate is sourced from PubChem (CID 57486751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).