tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

C26H42N4O5 — CID 90460648

IUPACtert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-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)nc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C26H42N4O5/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/h9,19,22H,6-8,10-18H2,1-5H3
InChIKeyVTERKAGYYCBYKD-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.19
Rot. Bonds7

About tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 90460648) has the molecular formula C26H42N4O5 and a molecular weight of 490.65 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-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]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID90460648
Molecular FormulaC26H42N4O5
Molecular Weight490.65 g/mol
Exact Mass490.32
IUPAC Nametert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-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)nc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C26H42N4O5/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/h9,19,22H,6-8,10-18H2,1-5H3
InChIKeyVTERKAGYYCBYKD-UHFFFAOYSA-N
XLogP4.19
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate with MolForge

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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-[[3-[4,4-bis(fluoromethyl)cyclohexen-1-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 118971577
tert-butyl 4-[4-ethyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58486612
tert-butyl 4-[4-(ethylperoxymethyl)-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 88897475
2-[[3-[10-[Tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-7-en-7-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460070
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
(R/S) tert-butyl N-(2-[[(3-[1,4-dioxaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460337
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-[(3R)-3-[(tert-butyldimethylsilyl)oxy]-4,4-dimethylcyclohex-1-en-1-yl]-1-(oxan-2-yl)-1H-pyrazol-4-yl}methyl)(methyl)amino]ethyl}-N-methylcarbamate
CID 90460396
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
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]dec-7-en-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460688
tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90460875

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-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]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (CID 90460648) is tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-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]dec-7-en-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]dec-7-en-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)nc1C1=CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is VTERKAGYYCBYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O5/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/h9,19,22H,6-8,10-18H2,1-5H3.
What are the key properties of tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 490.65 g/mol, XLogP of 4.19, 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]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 90460648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).