4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one

C18H23NO2 — CID 5306266

IUPAC4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C18H23NO2/c1-2-19(14-15-9-5-3-6-10-15)16-13-17(20)21-18(16)11-7-4-8-12-18/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3
InChIKeyFDIJOKVTGOMYDU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds4

About 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one

4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 5306266) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID5306266
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C18H23NO2/c1-2-19(14-15-9-5-3-6-10-15)16-13-17(20)21-18(16)11-7-4-8-12-18/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3
InChIKeyFDIJOKVTGOMYDU-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one (CID 5306266) is 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one is CCN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is FDIJOKVTGOMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-19(14-15-9-5-3-6-10-15)16-13-17(20)21-18(16)11-7-4-8-12-18/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3.
What are the key properties of 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 5306266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).