2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate

C24H32N2O4Si — CID 140751815

IUPAC2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NCCc1c(CO)[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H32N2O4Si/c1-31(2,3)14-13-29-24(28)25-12-11-20-21-15-19(9-10-22(21)26-23(20)16-27)30-17-18-7-5-4-6-8-18/h4-10,15,26-27H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeyIAWYABLCNNLVSF-UHFFFAOYSA-N
MW440.62 g/mol
LogP4.85
Rot. Bonds10

About 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate

2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate (PubChem CID 140751815) has the molecular formula C24H32N2O4Si and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate
PubChem CID140751815
Molecular FormulaC24H32N2O4Si
Molecular Weight440.62 g/mol
Exact Mass440.21
IUPAC Name2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NCCc1c(CO)[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H32N2O4Si/c1-31(2,3)14-13-29-24(28)25-12-11-20-21-15-19(9-10-22(21)26-23(20)16-27)30-17-18-7-5-4-6-8-18/h4-10,15,26-27H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeyIAWYABLCNNLVSF-UHFFFAOYSA-N
XLogP4.85
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl N-[2-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]carbamate
CID 140751816
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58172045
cis-2,2,2-trifluoroethyl (1R,2S)-2-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate
CID 40850874
3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
CID 175217287
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
5-[2-[(2-carboxybenzoyl)amino]ethoxy]-3-[2-[(2-carboxybenzoyl)amino]ethyl]-1H-indole-2-carboxylic acid
CID 15140322
3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxylic acid
CID 174324052
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 70919144
tert-butyl N-[3-[2-[2-[3-[[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxy-1H-indole-2-carbonyl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 54305903
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate (CID 140751815) is 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate is C[Si](C)(C)CCOC(=O)NCCc1c(CO)[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is IAWYABLCNNLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4Si/c1-31(2,3)14-13-29-24(28)25-12-11-20-21-15-19(9-10-22(21)26-23(20)16-27)30-17-18-7-5-4-6-8-18/h4-10,15,26-27H,11-14,16-17H2,1-3H3,(H,25,28).
What are the key properties of 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate?
2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 440.62 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[2-[2-(hydroxymethyl)-5-phenylmethoxy-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 140751815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).