(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate

C18H31NO3 — CID 175376402

IUPAC(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate
SMILESCCCCCCC(CC)C(=O)OC1C(=O)CC12CCNCC2
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-14(4-2)17(21)22-16-15(20)13-18(16)9-11-19-12-10-18/h14,16,19H,3-13H2,1-2H3
InChIKeyBQSBBALSVCOMMX-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.24
Rot. Bonds8

About (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate

(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate (PubChem CID 175376402) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate.

Molecular Properties

Compound Name(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate
PubChem CID175376402
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate
SMILESCCCCCCC(CC)C(=O)OC1C(=O)CC12CCNCC2
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-14(4-2)17(21)22-16-15(20)13-18(16)9-11-19-12-10-18/h14,16,19H,3-13H2,1-2H3
InChIKeyBQSBBALSVCOMMX-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-hexyldecanoyloxy)ethyl]piperidin-4-yl]ethyl 2-hexyldecanoate
CID 167523575
[2-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy-7-azaspiro[3.5]nonan-3-yl] 2-ethyloctanoate
CID 175036057
ethyl 2-ethyldocosanoate
CID 175304380
cyclopropyl 2-hexyldecanoate
CID 174570245
[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-3-yl] 2-ethyloctanoate
CID 175025408
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
formyl 2-ethyltridecanoate
CID 174857342
2-(2-ethyloctanoyloxy)acetic acid
CID 87270647
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
ethyl 2-ethyloctadecaneperoxoate
CID 88655570
2-methylpropyl 2-ethylnonanoate
CID 175297252

Frequently Asked Questions

What is the IUPAC name of (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate?
The IUPAC name of (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate (CID 175376402) is (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate.
What is the SMILES notation for (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate?
The canonical SMILES for (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate is CCCCCCC(CC)C(=O)OC1C(=O)CC12CCNCC2.
What is the InChIKey of (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate?
The InChIKey is BQSBBALSVCOMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-5-6-7-8-14(4-2)17(21)22-16-15(20)13-18(16)9-11-19-12-10-18/h14,16,19H,3-13H2,1-2H3.
What are the key properties of (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate?
(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate has a molecular weight of 309.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate is sourced from PubChem (CID 175376402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).