3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one

C26H32N2O2 — CID 90927298

IUPAC3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C26H32N2O2/c1-25(2,3)22-12-9-20(10-13-22)11-14-24(29)28-17-15-26(16-18-28)19-23(27-30-26)21-7-5-4-6-8-21/h4-10,12-13,19,27H,11,14-18H2,1-3H3
InChIKeyZLPNQPSWOCGVCH-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.85
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one

3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one (PubChem CID 90927298) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
PubChem CID90927298
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C26H32N2O2/c1-25(2,3)22-12-9-20(10-13-22)11-14-24(29)28-17-15-26(16-18-28)19-23(27-30-26)21-7-5-4-6-8-21/h4-10,12-13,19,27H,11,14-18H2,1-3H3
InChIKeyZLPNQPSWOCGVCH-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-benzyl-1-pent-1-en-2-yl-4-phenylpiperidine-4-carboxamide
CID 68078328
1-(1-cyclohexylethenyl)-N-[(4-ethylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 68079845
1-[7-[3-(hydroxyamino)but-3-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-methyl-3-(2-methylphenyl)pent-3-en-1-one
CID 88264924
[1-Benzyl-4-(4-methylphenyl)piperidine-4-carbonyl]-oxidoazanium
CID 88283498
1-[4-[1-(Benzylamino)ethenyl]-4-phenylpiperidin-1-yl]-3-cyclopentylpropan-1-one
CID 89031877
4-Ethyl-1-[4-[1-[(2-ethylphenyl)methylamino]ethenyl]-4-phenylpiperidin-1-yl]heptan-1-one
CID 89031879
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one (CID 90927298) is 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one is CC(C)(C)c1ccc(CCC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
The InChIKey is ZLPNQPSWOCGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-25(2,3)22-12-9-20(10-13-22)11-14-24(29)28-17-15-26(16-18-28)19-23(27-30-26)21-7-5-4-6-8-21/h4-10,12-13,19,27H,11,14-18H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one?
3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one has a molecular weight of 404.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one is sourced from PubChem (CID 90927298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).