9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C21H24N2O2 — CID 118562428

IUPAC9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(CCc3ccccc3)C2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-15-25-21(17-23(20)19-9-5-2-6-10-19)12-14-22(16-21)13-11-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyXFVLQPBMVRXGBD-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.74
Rot. Bonds4

About 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 118562428) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID118562428
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(CCc3ccccc3)C2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-15-25-21(17-23(20)19-9-5-2-6-10-19)12-14-22(16-21)13-11-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyXFVLQPBMVRXGBD-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 118562428) is 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(CCc3ccccc3)C2)CN1c1ccccc1.
What is the InChIKey of 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is XFVLQPBMVRXGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-15-25-21(17-23(20)19-9-5-2-6-10-19)12-14-22(16-21)13-11-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 336.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).