8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol

C21H33NO5 — CID 59200786

IUPAC8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol
SMILESCOCCOCOC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1
InChIInChI=1S/C21H33NO5/c1-22(14-17-6-4-3-5-7-17)19-8-9-21(13-20(19)23)12-18(15-27-21)26-16-25-11-10-24-2/h3-7,18-20,23H,8-16H2,1-2H3
InChIKeyNSJYVYKRGODIIN-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.20
Rot. Bonds9

About 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol

8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol (PubChem CID 59200786) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol
PubChem CID59200786
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol
SMILESCOCCOCOC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1
InChIInChI=1S/C21H33NO5/c1-22(14-17-6-4-3-5-7-17)19-8-9-21(13-20(19)23)12-18(15-27-21)26-16-25-11-10-24-2/h3-7,18-20,23H,8-16H2,1-2H3
InChIKeyNSJYVYKRGODIIN-UHFFFAOYSA-N
XLogP2.20
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol?
The IUPAC name of 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol (CID 59200786) is 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol?
The canonical SMILES for 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol is COCCOCOC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1.
What is the InChIKey of 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol?
The InChIKey is NSJYVYKRGODIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5/c1-22(14-17-6-4-3-5-7-17)19-8-9-21(13-20(19)23)12-18(15-27-21)26-16-25-11-10-24-2/h3-7,18-20,23H,8-16H2,1-2H3.
What are the key properties of 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol?
8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol has a molecular weight of 379.50 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(methyl)amino]-3-(2-methoxyethoxymethoxy)-1-oxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 59200786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).