ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

C18H22N2O6 — CID 46275330

IUPACethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccco1
InChIInChI=1S/C18H22N2O6/c1-3-24-17(23)20-8-6-18(7-9-20)14(12(2)16(22)26-18)15(21)19-11-13-5-4-10-25-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyLTHKJMKKDGRZEY-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 46275330) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID46275330
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Nameethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccco1
InChIInChI=1S/C18H22N2O6/c1-3-24-17(23)20-8-6-18(7-9-20)14(12(2)16(22)26-18)15(21)19-11-13-5-4-10-25-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyLTHKJMKKDGRZEY-UHFFFAOYSA-N
XLogP1.76
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate with MolForge

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Related Compounds

ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552
ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 92689010
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8842192
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (CID 46275330) is ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccco1.
What is the InChIKey of ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is LTHKJMKKDGRZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-3-24-17(23)20-8-6-18(7-9-20)14(12(2)16(22)26-18)15(21)19-11-13-5-4-10-25-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 46275330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).