1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone

C19H27NO3 — CID 131660419

IUPAC1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
SMILESCOCC1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)CO1
InChIInChI=1S/C19H27NO3/c1-15-3-5-16(6-4-15)11-18(21)20-9-7-19(8-10-20)12-17(13-22-2)23-14-19/h3-6,17H,7-14H2,1-2H3
InChIKeyDTAATLDZHZMMPD-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.58
Rot. Bonds4

About 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone

1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone (PubChem CID 131660419) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
PubChem CID131660419
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
SMILESCOCC1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)CO1
InChIInChI=1S/C19H27NO3/c1-15-3-5-16(6-4-15)11-18(21)20-9-7-19(8-10-20)12-17(13-22-2)23-14-19/h3-6,17H,7-14H2,1-2H3
InChIKeyDTAATLDZHZMMPD-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077
1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
CID 97418104
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
2-(4-hydroxyphenyl)-1-[3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 155875113
1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97485383
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059
(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418005
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476318
(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
CID 97473995
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 131656240

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone (CID 131660419) is 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone is COCC1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)CO1.
What is the InChIKey of 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is DTAATLDZHZMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15-3-5-16(6-4-15)11-18(21)20-9-7-19(8-10-20)12-17(13-22-2)23-14-19/h3-6,17H,7-14H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone?
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 131660419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).