2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate

C15H27NO3 — CID 91930394

IUPAC2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
SMILESCCCC1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C15H27NO3/c1-3-7-14(10-11-18-13(2)17)12-19-15(16-14)8-5-4-6-9-15/h16H,3-12H2,1-2H3
InChIKeyXICVTHPQLKECFB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate

2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate (PubChem CID 91930394) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
PubChem CID91930394
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
SMILESCCCC1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C15H27NO3/c1-3-7-14(10-11-18-13(2)17)12-19-15(16-14)8-5-4-6-9-15/h16H,3-12H2,1-2H3
InChIKeyXICVTHPQLKECFB-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(2-Cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930376
2-(3-(2-Methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930379
2-((S)-3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)propyl acetate
CID 91930391
2-(3-Isobutyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930392
2-(3-Ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930397
2-(3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930400
(R)-2-(4-ethyl-2,2-dimethyloxazolidin-4-yl)ethyl acetate
CID 91930405
3,3-Diethyl-1-oxa-4-azaspiro[4.5]decane
CID 91932524
(3R)-3-methyl-3-propyl-1-oxa-4-azaspiro[4.5]decane
CID 134863776
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
CID 138969293

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate?
The IUPAC name of 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate (CID 91930394) is 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate.
What is the SMILES notation for 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate?
The canonical SMILES for 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate is CCCC1(CCOC(C)=O)COC2(CCCCC2)N1.
What is the InChIKey of 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate?
The InChIKey is XICVTHPQLKECFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-7-14(10-11-18-13(2)17)12-19-15(16-14)8-5-4-6-9-15/h16H,3-12H2,1-2H3.
What are the key properties of 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate?
2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate is sourced from PubChem (CID 91930394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).