phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

C17H22N2O2 — CID 134789259

IUPACphenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESCC(C)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O2/c1-13(2)15-11-17(21-18-15)9-6-10-19(12-17)16(20)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3
InChIKeyMXAQUPCYXMTZBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.09
Rot. Bonds2

About phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (PubChem CID 134789259) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
PubChem CID134789259
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namephenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESCC(C)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O2/c1-13(2)15-11-17(21-18-15)9-6-10-19(12-17)16(20)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3
InChIKeyMXAQUPCYXMTZBZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134787749
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
CID 134790728
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
CID 129069861
methyl 9-(3-formyl-4-hydroxybenzoyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylate
CID 167875070
[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134790637
[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
CID 156602717
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 71662629
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The IUPAC name of phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (CID 134789259) is phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.
What is the SMILES notation for phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The canonical SMILES for phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is CC(C)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1.
What is the InChIKey of phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The InChIKey is MXAQUPCYXMTZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)15-11-17(21-18-15)9-6-10-19(12-17)16(20)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3.
What are the key properties of phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is sourced from PubChem (CID 134789259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).