tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

C34H62N4O4Si — CID 90460373

IUPACtert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCC(O[Si](C)(C)C(C)(C)C)C2(CCCC2)C1
InChIInChI=1S/C34H62N4O4Si/c1-32(2,3)41-31(39)37(8)21-20-36(7)24-27-25-38(29-15-11-14-22-40-29)35-30(27)26-16-17-28(34(23-26)18-12-13-19-34)42-43(9,10)33(4,5)6/h25-26,28-29H,11-24H2,1-10H3
InChIKeySDYRMUURMVBLMZ-UHFFFAOYSA-N
MW618.98 g/mol
LogP8.10
Rot. Bonds9

About tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 90460373) has the molecular formula C34H62N4O4Si and a molecular weight of 618.98 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID90460373
Molecular FormulaC34H62N4O4Si
Molecular Weight618.98 g/mol
Exact Mass618.45
IUPAC Nametert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCC(O[Si](C)(C)C(C)(C)C)C2(CCCC2)C1
InChIInChI=1S/C34H62N4O4Si/c1-32(2,3)41-31(39)37(8)21-20-36(7)24-27-25-38(29-15-11-14-22-40-29)35-30(27)26-16-17-28(34(23-26)18-12-13-19-34)42-43(9,10)33(4,5)6/h25-26,28-29H,11-24H2,1-10H3
InChIKeySDYRMUURMVBLMZ-UHFFFAOYSA-N
XLogP8.10
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.98
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (CID 90460373) is tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCC(O[Si](C)(C)C(C)(C)C)C2(CCCC2)C1.
What is the InChIKey of tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is SDYRMUURMVBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N4O4Si/c1-32(2,3)41-31(39)37(8)21-20-36(7)24-27-25-38(29-15-11-14-22-40-29)35-30(27)26-16-17-28(34(23-26)18-12-13-19-34)42-43(9,10)33(4,5)6/h25-26,28-29H,11-24H2,1-10H3.
What are the key properties of tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 618.98 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-[10-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 90460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).