4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C19H28N2O5 — CID 20906660

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H28N2O5/c1-3-20-8-4-18(5-9-20)15(14(2)17(23)26-18)16(22)21-10-6-19(7-11-21)24-12-13-25-19/h3-13H2,1-2H3
InChIKeyVXIRAYHABUXMSP-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.08
Rot. Bonds2

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 20906660) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID20906660
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H28N2O5/c1-3-20-8-4-18(5-9-20)15(14(2)17(23)26-18)16(22)21-10-6-19(7-11-21)24-12-13-25-19/h3-13H2,1-2H3
InChIKeyVXIRAYHABUXMSP-UHFFFAOYSA-N
XLogP1.08
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-acetyl-3-methyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275292
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
N-[2-(cyclohexen-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906666
ethyl 1-(8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)piperidine-4-carboxylate
CID 50789892
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
8-ethyl-4-[5-[4-hydroxy-3-(trifluoromethyl)anilino]pentanoyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 162558684
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836
N-[2-[(3,5-dichlorocyclohex-2-en-1-ylidene)amino]ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123997582
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326179
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302407
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 20906660) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is VXIRAYHABUXMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-3-20-8-4-18(5-9-20)15(14(2)17(23)26-18)16(22)21-10-6-19(7-11-21)24-12-13-25-19/h3-13H2,1-2H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 364.44 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 20906660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).