(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane

C18H27NO2 — CID 97451729

IUPAC(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@H]1CCC[C@]12CN(CCc1ccccc1)CCO2
InChIInChI=1S/C18H27NO2/c1-20-14-17-8-5-10-18(17)15-19(12-13-21-18)11-9-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-,18+/m1/s1
InChIKeyQDYNNSUTVVGPIX-MSOLQXFVSA-N
MW289.42 g/mol
LogP2.75
Rot. Bonds5

About (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane

(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97451729) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97451729
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@H]1CCC[C@]12CN(CCc1ccccc1)CCO2
InChIInChI=1S/C18H27NO2/c1-20-14-17-8-5-10-18(17)15-19(12-13-21-18)11-9-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-,18+/m1/s1
InChIKeyQDYNNSUTVVGPIX-MSOLQXFVSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97451729) is (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane is COC[C@H]1CCC[C@]12CN(CCc1ccccc1)CCO2.
What is the InChIKey of (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is QDYNNSUTVVGPIX-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-14-17-8-5-10-18(17)15-19(12-13-21-18)11-9-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane?
(4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 289.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(methoxymethyl)-9-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97451729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).