(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane

C18H27NO3 — CID 97418031

IUPAC(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1
InChIInChI=1S/C18H27NO3/c1-20-13-16-11-18(14-22-16)7-9-19(10-8-18)12-15-5-3-4-6-17(15)21-2/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyNSXWUAINWVYNTK-INIZCTEOSA-N
MW305.42 g/mol
LogP2.71
Rot. Bonds5

About (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane

(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418031) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID97418031
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1
InChIInChI=1S/C18H27NO3/c1-20-13-16-11-18(14-22-16)7-9-19(10-8-18)12-15-5-3-4-6-17(15)21-2/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyNSXWUAINWVYNTK-INIZCTEOSA-N
XLogP2.71
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131639788
[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
CID 118759786
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124815773
(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
CID 97473995
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
(3R)-3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97483535

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 97418031) is (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane is COC[C@@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1.
What is the InChIKey of (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is NSXWUAINWVYNTK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-13-16-11-18(14-22-16)7-9-19(10-8-18)12-15-5-3-4-6-17(15)21-2/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane?
(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 305.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).