tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate

C24H31N3O2 — CID 86651810

IUPACtert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2
InChIInChI=1S/C24H31N3O2/c1-23(2,3)29-22(28)25-14-19-10-7-11-20-21(19)24(16-26-20)12-13-27(17-24)15-18-8-5-4-6-9-18/h4-11,26H,12-17H2,1-3H3,(H,25,28)
InChIKeyLONIQJOWFVZIGZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate

tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate (PubChem CID 86651810) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate
PubChem CID86651810
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Nametert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2
InChIInChI=1S/C24H31N3O2/c1-23(2,3)29-22(28)25-14-19-10-7-11-20-21(19)24(16-26-20)12-13-27(17-24)15-18-8-5-4-6-9-18/h4-11,26H,12-17H2,1-3H3,(H,25,28)
InChIKeyLONIQJOWFVZIGZ-UHFFFAOYSA-N
XLogP4.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
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tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
methyl 2-[1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]acetate
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tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
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tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
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tert-butyl N-[[1-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
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tert-butyl N-[[(3S,4R)-1-benzyl-4-fluoropyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate (CID 86651810) is tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2.
What is the InChIKey of tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate?
The InChIKey is LONIQJOWFVZIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-23(2,3)29-22(28)25-14-19-10-7-11-20-21(19)24(16-26-20)12-13-27(17-24)15-18-8-5-4-6-9-18/h4-11,26H,12-17H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate?
tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate has a molecular weight of 393.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1'-benzylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-4-yl)methyl]carbamate is sourced from PubChem (CID 86651810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).