2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol

C23H37NO2 — CID 66577858

IUPAC2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3
InChIKeyULYSMAASWKKMJI-UHFFFAOYSA-N
MW359.55 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol

2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol (PubChem CID 66577858) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
PubChem CID66577858
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3
InChIKeyULYSMAASWKKMJI-UHFFFAOYSA-N
XLogP4.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol (CID 66577858) is 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol is CC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The InChIKey is ULYSMAASWKKMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol has a molecular weight of 359.55 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol is sourced from PubChem (CID 66577858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).