8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H26N2O5 — CID 13016649

IUPAC8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCC(O)CN1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C18H26N2O5/c1-19-13-18(25-17(19)22)7-9-20(10-8-18)11-14(21)12-24-16-6-4-3-5-15(16)23-2/h3-6,14,21H,7-13H2,1-2H3
InChIKeyDEDQNYVTMPWGOC-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.35
Rot. Bonds6

About 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016649) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016649
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCC(O)CN1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C18H26N2O5/c1-19-13-18(25-17(19)22)7-9-20(10-8-18)11-14(21)12-24-16-6-4-3-5-15(16)23-2/h3-6,14,21H,7-13H2,1-2H3
InChIKeyDEDQNYVTMPWGOC-UHFFFAOYSA-N
XLogP1.35
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 3151249
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 168280751
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidin-2-one
CID 168287403
3-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 536157
8-[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016636
1-Piperazineacetic acid, 4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-
CID 91810630
4-[6-(2-Methoxyphenoxy)hexyl]morpholine;oxalic acid
CID 16188860
1-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-(2-methoxyphenoxy)-2-propanol dihydrochloride
CID 16958235
8-[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016637
8-[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016638
8-[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016639
3-Butyl-8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016640

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016649) is 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ccccc1OCC(O)CN1CCC2(CC1)CN(C)C(=O)O2.
What is the InChIKey of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DEDQNYVTMPWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-19-13-18(25-17(19)22)7-9-20(10-8-18)11-14(21)12-24-16-6-4-3-5-15(16)23-2/h3-6,14,21H,7-13H2,1-2H3.
What are the key properties of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).