tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C22H24N2O2 — CID 153378658

IUPACtert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1c2ccccc2C[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-22(2,3)26-21(25)24-20-15-9-5-4-8-14(15)12-17(20)18-13-23-19-11-7-6-10-16(18)19/h4-11,13,17,20,23H,12H2,1-3H3,(H,24,25)/t17-,20?/m0/s1
InChIKeyZAAJZKJFFQVEOW-DIMJTDRSSA-N
MW348.45 g/mol
LogP5.07
Rot. Bonds2

About tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 153378658) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID153378658
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Nametert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1c2ccccc2C[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-22(2,3)26-21(25)24-20-15-9-5-4-8-14(15)12-17(20)18-13-23-19-11-7-6-10-16(18)19/h4-11,13,17,20,23H,12H2,1-3H3,(H,24,25)/t17-,20?/m0/s1
InChIKeyZAAJZKJFFQVEOW-DIMJTDRSSA-N
XLogP5.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
cis-(1S,2S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 129368450
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
(2S,3S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 100981666
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
tert-butyl N-[(1S,2S)-2-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292899
tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate
CID 3468630
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 153378658) is tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)NC1c2ccccc2C[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is ZAAJZKJFFQVEOW-DIMJTDRSSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)26-21(25)24-20-15-9-5-4-8-14(15)12-17(20)18-13-23-19-11-7-6-10-16(18)19/h4-11,13,17,20,23H,12H2,1-3H3,(H,24,25)/t17-,20?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 153378658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).