tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate

C24H42N4O3 — CID 90461287

IUPACtert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C24H42N4O3/c1-22(2,3)31-21(29)27(7)15-14-26(6)16-20-10-13-25-28(20)19-8-11-24(12-9-19)17-23(4,5)18-30-24/h10,13,19H,8-9,11-12,14-18H2,1-7H3
InChIKeyOVBYPENLWBTHOJ-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.48
Rot. Bonds6

About tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 90461287) has the molecular formula C24H42N4O3 and a molecular weight of 434.63 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID90461287
Molecular FormulaC24H42N4O3
Molecular Weight434.63 g/mol
Exact Mass434.33
IUPAC Nametert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C24H42N4O3/c1-22(2,3)31-21(29)27(7)15-14-26(6)16-20-10-13-25-28(20)19-8-11-24(12-9-19)17-23(4,5)18-30-24/h10,13,19H,8-9,11-12,14-18H2,1-7H3
InChIKeyOVBYPENLWBTHOJ-UHFFFAOYSA-N
XLogP4.48
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate (CID 90461287) is tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.
What is the InChIKey of tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is OVBYPENLWBTHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O3/c1-22(2,3)31-21(29)27(7)15-14-26(6)16-20-10-13-25-28(20)19-8-11-24(12-9-19)17-23(4,5)18-30-24/h10,13,19H,8-9,11-12,14-18H2,1-7H3.
What are the key properties of tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 434.63 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 90461287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).