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

C20H28N2O5 — CID 13016638

IUPAC8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-2-9-22-14-20(27-19(22)24)7-10-21(11-8-20)12-15(23)18-13-25-16-5-3-4-6-17(16)26-18/h3-6,15,18,23H,2,7-14H2,1H3
InChIKeyOYKSQJWWIUOISI-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.88
Rot. Bonds5

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

8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016638) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-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-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016638
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-2-9-22-14-20(27-19(22)24)7-10-21(11-8-20)12-15(23)18-13-25-16-5-3-4-6-17(16)26-18/h3-6,15,18,23H,2,7-14H2,1H3
InChIKeyOYKSQJWWIUOISI-UHFFFAOYSA-N
XLogP1.88
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.88
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-propyl-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-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016638) is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-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-propyl-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-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCN1CC2(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-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OYKSQJWWIUOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-2-9-22-14-20(27-19(22)24)7-10-21(11-8-20)12-15(23)18-13-25-16-5-3-4-6-17(16)26-18/h3-6,15,18,23H,2,7-14H2,1H3.
What are the key properties of 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.45 g/mol, XLogP of 1.88, 5 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-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).