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

C16H29NO3 — CID 91930392

IUPAC2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CC(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C16H29NO3/c1-13(2)11-15(9-10-19-14(3)18)12-20-16(17-15)7-5-4-6-8-16/h13,17H,4-12H2,1-3H3
InChIKeyHBIHZBCXXFPZKS-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.00
Rot. Bonds5

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

2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 91930392) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID91930392
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CC(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C16H29NO3/c1-13(2)11-15(9-10-19-14(3)18)12-20-16(17-15)7-5-4-6-8-16/h13,17H,4-12H2,1-3H3
InChIKeyHBIHZBCXXFPZKS-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.00
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-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
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-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 91930392) is 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCCC1(CC(C)C)COC2(CCCCC2)N1.
What is the InChIKey of 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is HBIHZBCXXFPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(2)11-15(9-10-19-14(3)18)12-20-16(17-15)7-5-4-6-8-16/h13,17H,4-12H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 283.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 91930392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).