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

C19H26N2O5 — CID 13016637

IUPAC8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C19H26N2O5/c1-2-21-13-19(26-18(21)23)7-9-20(10-8-19)11-14(22)17-12-24-15-5-3-4-6-16(15)25-17/h3-6,14,17,22H,2,7-13H2,1H3
InChIKeyXCXKOYDNBBUVGC-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.49
Rot. Bonds4

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

8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016637) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-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-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016637
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C19H26N2O5/c1-2-21-13-19(26-18(21)23)7-9-20(10-8-19)11-14(22)17-12-24-15-5-3-4-6-16(15)25-17/h3-6,14,17,22H,2,7-13H2,1H3
InChIKeyXCXKOYDNBBUVGC-UHFFFAOYSA-N
XLogP1.49
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.49
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-ethyl-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-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016637) is 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-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-ethyl-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-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(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-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XCXKOYDNBBUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-21-13-19(26-18(21)23)7-9-20(10-8-19)11-14(22)17-12-24-15-5-3-4-6-16(15)25-17/h3-6,14,17,22H,2,7-13H2,1H3.
What are the key properties of 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.43 g/mol, XLogP of 1.49, 4 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-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).