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

C21H24N2O2 — CID 155528829

IUPAC3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-23(19-9-5-2-6-10-19)17-21(25-20)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyQMZYZVGBMAHPDU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.72
Rot. Bonds4

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

3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 155528829) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID155528829
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-23(19-9-5-2-6-10-19)17-21(25-20)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyQMZYZVGBMAHPDU-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 155528829) is 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1.
What is the InChIKey of 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QMZYZVGBMAHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-23(19-9-5-2-6-10-19)17-21(25-20)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155528829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).