cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C16H27NO3 — CID 131692810

IUPACcyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H27NO3/c1-2-19-8-6-13-7-9-20-16(10-13)11-17(12-16)15(18)14-4-3-5-14/h13-14H,2-12H2,1H3
InChIKeyKKCRWVIVAXDFTI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.22
Rot. Bonds5

About cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692810) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131692810
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namecyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H27NO3/c1-2-19-8-6-13-7-9-20-16(10-13)11-17(12-16)15(18)14-4-3-5-14/h13-14H,2-12H2,1H3
InChIKeyKKCRWVIVAXDFTI-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131642458
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
1-[(8R)-8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-fluorophenoxy)ethanone
CID 124869912
2-cyclopentyl-1-[8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131642459
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787528
cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913329
2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124786488
2-[2-(5-oxa-2-azaspiro[3.5]nonan-8-yl)ethoxy]-1-pyrrolidin-1-ylethanone
CID 131654020
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692810) is cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is CCOCCC1CCOC2(C1)CN(C(=O)C1CCC1)C2.
What is the InChIKey of cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is KKCRWVIVAXDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-19-8-6-13-7-9-20-16(10-13)11-17(12-16)15(18)14-4-3-5-14/h13-14H,2-12H2,1H3.
What are the key properties of cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 281.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).