1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one

C20H28N2O2 — CID 69328574

IUPAC1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one
SMILESCC(C)(C)C1=NOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)17-15-20(24-21-17)11-13-22(14-12-20)18(23)10-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyVWUSGBBBCQGSOQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.80
Rot. Bonds3

About 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one

1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one (PubChem CID 69328574) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one
PubChem CID69328574
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one
SMILESCC(C)(C)C1=NOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)17-15-20(24-21-17)11-13-22(14-12-20)18(23)10-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyVWUSGBBBCQGSOQ-UHFFFAOYSA-N
XLogP3.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734745
2-methylsulfonyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
CID 76685034
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one
CID 69279340
3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 69317469
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one (CID 69328574) is 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one is CC(C)(C)C1=NOC2(CCN(C(=O)CCc3ccccc3)CC2)C1.
What is the InChIKey of 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one?
The InChIKey is VWUSGBBBCQGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)17-15-20(24-21-17)11-13-22(14-12-20)18(23)10-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one?
1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 69328574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).