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

C20H28N2O5 — CID 13016639

IUPAC8-[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
SMILESCC(C)N1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-14(2)22-13-20(27-19(22)24)7-9-21(10-8-20)11-15(23)18-12-25-16-5-3-4-6-17(16)26-18/h3-6,14-15,18,23H,7-13H2,1-2H3
InChIKeyAEEKDQDRCGMGMV-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.88
Rot. Bonds4

About 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

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 (PubChem CID 13016639) 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-propan-2-yl-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-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016639
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name8-[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
SMILESCC(C)N1CC2(CCN(CC(O)C3COc4ccccc4O3)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-14(2)22-13-20(27-19(22)24)7-9-21(10-8-20)11-15(23)18-12-25-16-5-3-4-6-17(16)26-18/h3-6,14-15,18,23H,7-13H2,1-2H3
InChIKeyAEEKDQDRCGMGMV-UHFFFAOYSA-N
XLogP1.88
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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

Analyze 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 with MolForge

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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-propan-2-yl-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-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016639) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2(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-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AEEKDQDRCGMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14(2)22-13-20(27-19(22)24)7-9-21(10-8-20)11-15(23)18-12-25-16-5-3-4-6-17(16)26-18/h3-6,14-15,18,23H,7-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 376.45 g/mol, XLogP of 1.88, 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-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).