benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate

C24H40N2O3Si — CID 66782966

IUPACbenzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate
SMILESCC[Si](CC)(CC)OC1CN(CCCNC(=O)OCc2ccccc2)CCC12CC2
InChIInChI=1S/C24H40N2O3Si/c1-4-30(5-2,6-3)29-22-19-26(18-15-24(22)13-14-24)17-10-16-25-23(27)28-20-21-11-8-7-9-12-21/h7-9,11-12,22H,4-6,10,13-20H2,1-3H3,(H,25,27)
InChIKeyUCIZMGCCKRBGDG-UHFFFAOYSA-N
MW432.68 g/mol
LogP5.18
Rot. Bonds11

About benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate

benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate (PubChem CID 66782966) has the molecular formula C24H40N2O3Si and a molecular weight of 432.68 g/mol. Its IUPAC name is benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate
PubChem CID66782966
Molecular FormulaC24H40N2O3Si
Molecular Weight432.68 g/mol
Exact Mass432.28
IUPAC Namebenzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate
SMILESCC[Si](CC)(CC)OC1CN(CCCNC(=O)OCc2ccccc2)CCC12CC2
InChIInChI=1S/C24H40N2O3Si/c1-4-30(5-2,6-3)29-22-19-26(18-15-24(22)13-14-24)17-10-16-25-23(27)28-20-21-11-8-7-9-12-21/h7-9,11-12,22H,4-6,10,13-20H2,1-3H3,(H,25,27)
InChIKeyUCIZMGCCKRBGDG-UHFFFAOYSA-N
XLogP5.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate
CID 66783504
benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
CID 151856393
[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
CID 22993462
benzyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propyl]carbamate
CID 146599653
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
(2S)-1-[4-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 101131452
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
benzyl N-[4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutyl]carbamate
CID 51121113
benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
CID 137333145
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate?
The IUPAC name of benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate (CID 66782966) is benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate is CC[Si](CC)(CC)OC1CN(CCCNC(=O)OCc2ccccc2)CCC12CC2.
What is the InChIKey of benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate?
The InChIKey is UCIZMGCCKRBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3Si/c1-4-30(5-2,6-3)29-22-19-26(18-15-24(22)13-14-24)17-10-16-25-23(27)28-20-21-11-8-7-9-12-21/h7-9,11-12,22H,4-6,10,13-20H2,1-3H3,(H,25,27).
What are the key properties of benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate?
benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate has a molecular weight of 432.68 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate is sourced from PubChem (CID 66782966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).