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

C28H28N2O2 — CID 91191433

IUPAC2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
SMILESCC(C(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1)(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/h2-16,21,29H,17-20H2,1H3
InChIKeyQIMKFQQMZPZEHQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.93
Rot. Bonds4

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

2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one (PubChem CID 91191433) 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-3-en-8-yl)propan-1-one.

Molecular Properties

Compound Name2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
PubChem CID91191433
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-3-en-8-yl)propan-1-one
SMILESCC(C(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1)(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/h2-16,21,29H,17-20H2,1H3
InChIKeyQIMKFQQMZPZEHQ-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[4-(4-fluorophenyl)but-1-en-2-yl]-4-phenylpiperidine-4-carboxamide
CID 68078173
3-(4-Tert-butylphenyl)-1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]-5-phenylpenta-2,4-dien-1-one
CID 91050881
3-(4-Tert-butylphenyl)-1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]prop-2-en-1-one
CID 91223295
1-methyl-3,3,5-triphenyl-1,3-dihydro-2H-pyrrol-2-one
CID 44668610
N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23601048
N-benzyl-1-[3-(3-ethylphenyl)prop-1-en-2-yl]-4-phenylpiperidine-4-carboxamide
CID 68078168
N-benzyl-1-pent-1-en-2-yl-4-phenylpiperidine-4-carboxamide
CID 68078328
1-(4-Tert-butylphenyl)-3-[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]prop-2-en-1-one
CID 90745080
2-[(4-Tert-butylphenyl)methylidene]-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)butan-1-one
CID 90748659
1-(4-Tert-butylphenyl)-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-2-en-1-one
CID 90790867
2-(4-Tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
CID 90817541
3-(4-Tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
CID 90927298

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
The IUPAC name of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one (CID 91191433) is 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-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-3-en-8-yl)propan-1-one?
The canonical SMILES for 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one is CC(C(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
The InChIKey is QIMKFQQMZPZEHQ-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/h2-16,21,29H,17-20H2,1H3.
What are the key properties of 2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one has a molecular weight of 424.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 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-3-en-8-yl)propan-1-one is sourced from PubChem (CID 91191433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).