8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H24N2O5 — CID 13016636

IUPAC8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C18H24N2O5/c1-19-12-18(25-17(19)22)6-8-20(9-7-18)10-13(21)16-11-23-14-4-2-3-5-15(14)24-16/h2-5,13,16,21H,6-12H2,1H3
InChIKeyACSVUVRYXSVGSU-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.10
Rot. Bonds3

About 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016636) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016636
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C18H24N2O5/c1-19-12-18(25-17(19)22)6-8-20(9-7-18)10-13(21)16-11-23-14-4-2-3-5-15(14)24-16/h2-5,13,16,21H,6-12H2,1H3
InChIKeyACSVUVRYXSVGSU-UHFFFAOYSA-N
XLogP1.10
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 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) is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O.
What is the InChIKey of 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ACSVUVRYXSVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-19-12-18(25-17(19)22)6-8-20(9-7-18)10-13(21)16-11-23-14-4-2-3-5-15(14)24-16/h2-5,13,16,21H,6-12H2,1H3.
What are the key properties of 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).