N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C15H19NO4 — CID 2920648

IUPACN-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyZKVYERWCJUZWEM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2920648) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2920648
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccco2)C2(CCCCC2)O1
InChIInChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyZKVYERWCJUZWEM-UHFFFAOYSA-N
XLogP2.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
[2-(Furan-2-ylmethylamino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
CID 2999124
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2344971
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2715190
2-(Furan-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 2932694
N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 4690796
2-Oxo-2-phenylethyl 2-(2-furylcarbonylamino)acetate
CID 2180478
Benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2346231
N-(2-furylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836992
3-{[(2-Furylmethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3243960

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 2920648) is N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NCc2ccco2)C2(CCCCC2)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZKVYERWCJUZWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-9-12(15(20-13)6-2-1-3-7-15)14(18)16-10-11-5-4-8-19-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2920648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).