8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H28N2O3 — CID 70766401

IUPAC8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C3CCCOC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H28N2O3/c23-19-22(11-8-17-5-2-1-3-6-17)16-20(25-19)9-12-21(13-10-20)18-7-4-14-24-15-18/h1-3,5-6,18H,4,7-16H2
InChIKeyWTHYVDCNIJPIOE-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.69
Rot. Bonds4

About 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70766401) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70766401
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C3CCCOC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C20H28N2O3/c23-19-22(11-8-17-5-2-1-3-6-17)16-20(25-19)9-12-21(13-10-20)18-7-4-14-24-15-18/h1-3,5-6,18H,4,7-16H2
InChIKeyWTHYVDCNIJPIOE-UHFFFAOYSA-N
XLogP2.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70766401) is 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C3CCCOC3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WTHYVDCNIJPIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19-22(11-8-17-5-2-1-3-6-17)16-20(25-19)9-12-21(13-10-20)18-7-4-14-24-15-18/h1-3,5-6,18H,4,7-16H2.
What are the key properties of 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-3-yl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70766401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).