tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

C26H44N4O5 — CID 90460337

IUPACtert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C26H44N4O5/c1-25(2,3)35-24(31)29(5)14-13-28(4)18-21-19-30(22-8-6-7-15-32-22)27-23(21)20-9-11-26(12-10-20)33-16-17-34-26/h19-20,22H,6-18H2,1-5H3
InChIKeyFBVRXCWTFUXFMZ-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.28
Rot. Bonds7

About tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 90460337) has the molecular formula C26H44N4O5 and a molecular weight of 492.66 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID90460337
Molecular FormulaC26H44N4O5
Molecular Weight492.66 g/mol
Exact Mass492.33
IUPAC Nametert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C26H44N4O5/c1-25(2,3)35-24(31)29(5)14-13-28(4)18-21-19-30(22-8-6-7-15-32-22)27-23(21)20-9-11-26(12-10-20)33-16-17-34-26/h19-20,22H,6-18H2,1-5H3
InChIKeyFBVRXCWTFUXFMZ-UHFFFAOYSA-N
XLogP4.28
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-[4-(2,2,2-trifluoroethoxymethyl)cyclohexen-1-yl]pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 118963120
tert-butyl N-(2-[[(5-[3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl]-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460207
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460258
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]propylcarbamic acid
CID 90460260
tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90460335
tert-butyl N-(2-[[(3-[3,3-dimethyl-1-oxaspiro[4.5]dec-7-en-8-yl]-1-(oxan-2-yl)-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460338
tert-butyl N-(2-{[(3-{10-[(tert-butyldimethylsilyl)oxy]spiro[4.5]decan-7-yl}-1-(oxan-2-yl)-1H-pyrazol-4-yl)methyl](methyl)amino}ethyl)-N-methylcarbamate
CID 90460373
Methyl-[2-[methyl-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90460490
tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90460646
(R/S) tert-butyl N-(2-[[(3-[1,4-dioxaspiro[4.5]dec-7-en-8-yl]-1-(oxan-2-yl)-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460648
tert-butyl N-methyl-N-[2-[methyl-[[1-[(2R)-oxan-2-yl]-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90460764
tert-butyl N-methyl-N-[2-[methyl([[1-(oxan-2-yl)-3-(4-oxocyclohexyl)-1H-pyrazol-4-yl]methyl])amino]ethyl]carbamate
CID 90460766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (CID 90460337) is tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-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)nc1C1CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is FBVRXCWTFUXFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O5/c1-25(2,3)35-24(31)29(5)14-13-28(4)18-21-19-30(22-8-6-7-15-32-22)27-23(21)20-9-11-26(12-10-20)33-16-17-34-26/h19-20,22H,6-18H2,1-5H3.
What are the key properties of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 492.66 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 90460337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).