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

C15H27NO4 — CID 91930379

IUPAC2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCOCCC1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C15H27NO4/c1-13(17)19-11-9-14(8-10-18-2)12-20-15(16-14)6-4-3-5-7-15/h16H,3-12H2,1-2H3
InChIKeyPMPKHHYANXROPY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.00
Rot. Bonds6

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

2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 91930379) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID91930379
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCOCCC1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C15H27NO4/c1-13(17)19-11-9-14(8-10-18-2)12-20-15(16-14)6-4-3-5-7-15/h16H,3-12H2,1-2H3
InChIKeyPMPKHHYANXROPY-UHFFFAOYSA-N
XLogP2.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(2-((Triisopropylsilyl)oxy)ethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930388
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-Propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930394
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
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-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 91930379) is 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is COCCC1(CCOC(C)=O)COC2(CCCCC2)N1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is PMPKHHYANXROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(17)19-11-9-14(8-10-18-2)12-20-15(16-14)6-4-3-5-7-15/h16H,3-12H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 285.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 91930379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).