3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C18H27NO2 — CID 118742398

IUPAC3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C18H27NO2/c1-3-20-17-12-18(21-14-17)8-10-19(11-9-18)13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3
InChIKeyPOKISBQDFBNNJB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.16
Rot. Bonds4

About 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118742398) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID118742398
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C18H27NO2/c1-3-20-17-12-18(21-14-17)8-10-19(11-9-18)13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3
InChIKeyPOKISBQDFBNNJB-UHFFFAOYSA-N
XLogP3.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8-Benzyl-1,4-dioxa-8-aza-spiro(4.5)dec-6-YL)-methanol
CID 3563668
(3aS,7aR)-5-[(2-fluorophenyl)methyl]-3a-(methoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97422554
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319
3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
3-[(3-Ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118742393
8-[(3,4-Dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 118742396
8-[(4-Chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743836
8-[(3-Chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743839
3-[(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118743843
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743849

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 118742398) is 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(Cc3ccc(C)cc3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is POKISBQDFBNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-20-17-12-18(21-14-17)8-10-19(11-9-18)13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3.
What are the key properties of 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 289.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118742398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).