(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C18H27NO2 — CID 124870220

IUPAC(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCCOC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2
InChIInChI=1S/C18H27NO2/c1-4-20-11-17-7-8-21-18(17)12-19(13-18)10-16-9-14(2)5-6-15(16)3/h5-6,9,17H,4,7-8,10-13H2,1-3H3/t17-/m0/s1
InChIKeyUOVBCALMCVQMRH-KRWDZBQOSA-N
MW289.42 g/mol
LogP2.93
Rot. Bonds5

About (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124870220) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124870220
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCCOC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2
InChIInChI=1S/C18H27NO2/c1-4-20-11-17-7-8-21-18(17)12-19(13-18)10-16-9-14(2)5-6-15(16)3/h5-6,9,17H,4,7-8,10-13H2,1-3H3/t17-/m0/s1
InChIKeyUOVBCALMCVQMRH-KRWDZBQOSA-N
XLogP2.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine
CID 131651846
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131662173
2-[(4-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155832965
1-[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649671
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489
2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
CID 131663415
N,N-dimethyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]acetamide
CID 133140038
(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124812614
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 133142947
N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 124820925
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 131641516

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124870220) is (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is CCOC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2.
What is the InChIKey of (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is UOVBCALMCVQMRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-20-11-17-7-8-21-18(17)12-19(13-18)10-16-9-14(2)5-6-15(16)3/h5-6,9,17H,4,7-8,10-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 289.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124870220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).