(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol

C20H36N2O4 — CID 169144269

IUPAC(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol
SMILESCC(C)(C)OC(O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2
InChIInChI=1S/C20H36N2O4/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19/h16-17,23H,4-15H2,1-3H3
InChIKeyJAXHAKMVVDYQSH-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.81
Rot. Bonds3

About (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol

(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol (PubChem CID 169144269) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol
PubChem CID169144269
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol
SMILESCC(C)(C)OC(O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2
InChIInChI=1S/C20H36N2O4/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19/h16-17,23H,4-15H2,1-3H3
InChIKeyJAXHAKMVVDYQSH-UHFFFAOYSA-N
XLogP1.81
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol (CID 169144269) is (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol is CC(C)(C)OC(O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol?
The InChIKey is JAXHAKMVVDYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19/h16-17,23H,4-15H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol?
(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol has a molecular weight of 368.52 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 169144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).