3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride

C22H24ClNO2 — CID 45260692

IUPAC3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)=COC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H23NO2.ClH/c24-21-20(19-9-5-2-6-10-19)17-25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18;/h1-10,17H,11-16H2;1H
InChIKeyONDGGANBJXBEDQ-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.13
Rot. Bonds4

About 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride

3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride (PubChem CID 45260692) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride.

Molecular Properties

Compound Name3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
PubChem CID45260692
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)=COC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H23NO2.ClH/c24-21-20(19-9-5-2-6-10-19)17-25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18;/h1-10,17H,11-16H2;1H
InChIKeyONDGGANBJXBEDQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.13
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-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The IUPAC name of 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride (CID 45260692) is 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride.
What is the SMILES notation for 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The canonical SMILES for 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride is Cl.O=C1C(c2ccccc2)=COC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The InChIKey is ONDGGANBJXBEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2.ClH/c24-21-20(19-9-5-2-6-10-19)17-25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18;/h1-10,17H,11-16H2;1H.
What are the key properties of 3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
3-phenyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 4.13, 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-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride is sourced from PubChem (CID 45260692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).