2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one

C28H28N2O2 — CID 69279340

IUPAC2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one
SMILESCC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(31)30-19-17-28(18-20-30)21-25(29-32-28)22-11-5-2-6-12-22/h2-16H,17-21H2,1H3
InChIKeyXEPVWEFVQOGFQG-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.18
Rot. Bonds4

About 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one

2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one (PubChem CID 69279340) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one.

Molecular Properties

Compound Name2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one
PubChem CID69279340
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one
SMILESCC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(31)30-19-17-28(18-20-30)21-25(29-32-28)22-11-5-2-6-12-22/h2-16H,17-21H2,1H3
InChIKeyXEPVWEFVQOGFQG-UHFFFAOYSA-N
XLogP5.18
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one?
The IUPAC name of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one (CID 69279340) is 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one.
What is the SMILES notation for 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one?
The canonical SMILES for 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one is CC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one?
The InChIKey is XEPVWEFVQOGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(31)30-19-17-28(18-20-30)21-25(29-32-28)22-11-5-2-6-12-22/h2-16H,17-21H2,1H3.
What are the key properties of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one?
2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one has a molecular weight of 424.54 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one is sourced from PubChem (CID 69279340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).